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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameCalcitonin gene-related peptide type 1 receptor
SpeciesHomo sapiens (Human)
GeneCALCRL
SynonymCalcitonin receptor-like receptor
CLR (unofficial abbreviation in common use)
CRLR
CGRP type 1 receptor
DiseaseMigraine; Cluster headaches
Migraine
Length461
Amino acid sequenceMEKKCTLNFLVLLPFFMILVTAELEESPEDSIQLGVTRNKIMTAQYECYQKIMQDPIQQAEGVYCNRTWDGWLCWNDVAAGTESMQLCPDYFQDFDPSEKVTKICDQDGNWFRHPASNRTWTNYTQCNVNTHEKVKTALNLFYLTIIGHGLSIASLLISLGIFFYFKSLSCQRITLHKNLFFSFVCNSVVTIIHLTAVANNQALVATNPVSCKVSQFIHLYLMGCNYFWMLCEGIYLHTLIVVAVFAEKQHLMWYYFLGWGFPLIPACIHAIARSLYYNDNCWISSDTHLLYIIHGPICAALLVNLFFLLNIVRVLITKLKVTHQAESNLYMKAVRATLILVPLLGIEFVLIPWRPEGKIAEEVYDYIMHILMHFQGLLVSTIFCFFNGEVQAILRRNWNQYKIQFGNSFSNSEALRSASYTVSTISDGPGYSHDCPSEHLNGKSIHDIENVLLKPENLYN
UniProtQ16602
Protein Data Bank4rwf, 3n7s, 4rwg, 3n7r, 6e3y, 6d1u, 5v6y
GPCR-HGmod modelQ16602
3D structure modelThis structure is from PDB ID 4rwf.
BioLiPBL0314647, BL0183083, BL0183084, BL0314642, BL0314643,BL0314645,BL0314648, BL0314644,BL0314646,BL0314649, BL0314641, BL0403127,BL0403130,BL0403133,, BL0403128,BL0403131,BL0403134,, BL0183079, BL0183080, BL0403129,BL0403132,BL0403135,, BL0425957,BL0425959,BL0425961, BL0425958,BL0425960,BL0425962, BL0427207,BL0427208
Therapeutic Target DatabaseT32262
ChEMBLCHEMBL3798
IUPHARN/A
DrugBankBE0009009

Known ligands

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Total entries: 747
Page:  / 8 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
7742D structureCHEMBL3288289C40H49N9O4S751.9518 / 43.2No
15002D structureCHEMBL313797C26H28ClFN2O2454.975 / 15.5No
18282D structureCHEMBL385399C29H31F3N6O3568.6017 / 24.0No
19732D structureCHEMBL262961C58H80N12O181233.3419 / 17-3.3No
24102D structureCHEMBL265906C60H81N11O161212.3717 / 13-1.1No
24162D structureCHEMBL402699C52H76N12O161125.2517 / 15-4.1No
33682D structureCHEMBL3114468C30H31N5O3S541.675 / 12.7No
36042D structureCHEMBL376040C58H78N12O181231.3319 / 16-4.0No
50912D structureCHEMBL425807C26H27F3N6O3528.5367 / 22.8No
69462D structureCHEMBL2022597C30H29N7O3535.6086 / 23.3No
72052D structureCHEMBL3114474C34H46N6O3S618.8416 / 23.8No
74092D structureCHEMBL384703C56H80N12O171193.3218 / 14-3.9No
74772D structureCHEMBL241117C25H30N6O3462.5544 / 32.0Yes
93192D structureCHEMBL2430166C37H43N7O3633.7976 / 24.8No
93462D structureCHEMBL386706C30H26F4N6O3594.5718 / 24.3No
93902D structureCHEMBL2018498C35H45N7O3611.7915 / 34.0No
95582D structureCHEMBL258070C24H24N6O3444.4954 / 21.3Yes
101032D structureCHEMBL2336418C35H45ClN8O3661.2485 / 34.1No
105742D structureCHEMBL274851C56H79N11O171178.3118 / 13-2.2No
108812D structureCHEMBL571580C26H29FN4O4480.545 / 22.7Yes
149842D structureCHEMBL2018512C30H35N5O4529.6415 / 23.1No
150822D structureCHEMBL2024601C30H33N7O2523.6414 / 33.4No
151522D structureCHEMBL407854C56H80N12O161177.3217 / 13-2.9No
154262D structureCHEMBL3114495C38H53FN6O3S692.9397 / 15.7No
5363962D structureCHEMBL3943580C30H25N5O2487.5635 / 22.8Yes
5577332D structureUS9227973, 5 isomer BC30H25N5O2487.5635 / 22.8Yes
170612D structureCHEMBL381798C30H27F3N6O3576.587 / 24.2No
175492D structureCHEMBL2018357C33H50N6O4594.8016 / 32.4No
179352D structureMK-3207C31H29F2N5O3557.6027 / 32.8No
186572D structureCHEMBL577304C27H29F3N4O4530.5487 / 23.5No
188942D structureCHEMBL263335C53H76N12O181169.2619 / 16-5.0No
193152D structureCHEMBL376719C60H82N12O141195.3915 / 12-0.8No
198852D structureCHEMBL482178C25H21N7O4483.4886 / 21.1Yes
200042D structureCHEMBL435149C59H81N13O141196.3715 / 12-1.1No
208122D structureCHEMBL1770556C28H30F2N8O2548.5997 / 21.9No
220632D structureCHEMBL2336416C34H42BrN7O5708.6586 / 33.4No
226142D structureCHEMBL453865C26H28N6O5504.5475 / 20.3No
227552D structureCHEMBL2024587C31H34N6O2522.6534 / 23.7No
248032D structureCHEMBL2018518C36H47N7O3625.8185 / 23.5No
248042D structureCHEMBL2018517C36H47N7O3625.8185 / 23.5No
248052D structureSCHEMBL3590844C36H47N7O3625.8185 / 23.5No
252682D structureCHEMBL409205C57H83N15O191282.3820 / 18-7.4No
256442D structureCHEMBL1090841C26H23N5O3453.5025 / 21.6Yes
272042D structureCHEMBL2203713C18H22N4S326.4624 / 22.9Yes
272922D structureCHEMBL2336419C37H50N8O3654.865 / 34.3No
274192D structureCHEMBL1770557C28H28F5N7O2589.5719 / 23.3No
277752D structureCHEMBL471530C21H18ClN5O4439.8564 / 31.3Yes
285142D structureCHEMBL407697C54H78N12O191199.2820 / 17-5.6No
287172D structureCHEMBL2371143C65H102N18O13S1375.717 / 15-1.7No
289642D structureCHEMBL1770723C28H30F2N6O4552.5838 / 21.7No
291672D structureCHEMBL2024599C33H32N6O3560.6585 / 24.8No
295162D structureCHEMBL1092838C27H25N5O3467.5295 / 22.2Yes
295672D structureCHEMBL2059896C35H43N5O3S613.8215 / 24.7No
299282D structureCHEMBL2431247C31H31F2N5O3559.6187 / 22.9No
301062D structureCHEMBL2369463C134H221N43O373026.5143 / 44-10.8No
302872D structureCHEMBL519421C27H30N6O5518.5745 / 21.2No
317382D structureCHEMBL488255C27H29N5O6519.5586 / 21.9No
335682D structureCHEMBL3114488C36H50N6O3S646.8956 / 14.8No
337742D structureCHEMBL1269645C34H34N4O2530.6724 / 15.0No
348952D structureCHEMBL237663C28H32F2N6O3538.66 / 22.6No
351852D structureCHEMBL556703C28H25N5O3479.545 / 21.8Yes
352902D structureCHEMBL198105C34H43Br2N7O5789.578 / 53.9No
355382D structureCHEMBL405544C31H29F3N6O5S654.6659 / 23.5No
364072D structureCHEMBL223156C26H22N6O4482.55 / 21.7Yes
372392D structureCHEMBL1089207C27H21N7O3491.5116 / 11.6Yes
372982D structureCHEMBL1770729C31H34F2N6O4592.6488 / 22.4No
383422D structureCHEMBL374251C26H20F3N7O4551.4869 / 22.0No
384602D structureCHEMBL2059880C34H42N6O3S614.8095 / 24.6No
389782D structureCHEMBL88196C24H28N2O2S408.565 / 14.4Yes
408982D structureCHEMBL601857C26H25ClN8O3532.9897 / 12.0No
412312D structureCHEMBL1770725C29H32F2N6O4566.618 / 31.8No
412332D structureTelcagepantC26H27F5N6O3566.5339 / 23.0No
416452D structureCHEMBL221009C21H19N5O4405.4144 / 30.7Yes
421522D structureCHEMBL2018358C34H42F2N6O4636.7457 / 22.8No
438822D structureCHEMBL3114455C28H32N4O3S504.6494 / 13.0No
444122D structureCHEMBL266506C54H77N11O181168.2719 / 15-3.6No
445222D structureCHEMBL2018514C34H42N6O4598.7486 / 23.3No
459532D structureCHEMBL508349C35H37N7O4619.7267 / 23.8No
463092D structureCHEMBL386204C30H26ClF3N6O3611.0227 / 24.9No
466322D structureFVPTDVGPFAFC60H81N11O151196.3716 / 12-0.1No
477992D structureCHEMBL2024595C29H29BrN6O3589.4945 / 24.6No
479362D structureCHEMBL2018513C31H38N6O3542.6844 / 22.9No
492262D structureCHEMBL577737C26H30N4O4462.554 / 22.6Yes
492272D structureCHEMBL571823C26H30N4O4462.554 / 22.6Yes
493142D structureCHEMBL411896C21H22N8O3434.465 / 2-1.1Yes
498502D structureCHEMBL2022599C34H33N7O3587.6846 / 24.1No
500902D structureCHEMBL266666C59H81N11O171216.3618 / 15-1.5No
506442D structureCHEMBL2023191C30H31ClN8O4603.087 / 23.3No
512922D structureCHEMBL3099923C31H33FN4O2512.6295 / 14.5No
517112D structureCHEMBL194632C37H47Br2N7O5829.6358 / 44.3No
524582D structureCHEMBL3114677C39H55FN6O3S706.9667 / 15.8No
524592D structureCHEMBL3114676C39H55FN6O3S706.9667 / 15.8No
524602D structureCHEMBL3114496C39H55FN6O3S706.9667 / 15.8No
532242D structureazaFVPTDVGPFAF-NH2C59H81N13O141196.3715 / 12-1.1No
539362D structureCHEMBL2336414C35H42N8O5654.7727 / 32.5No
555262D structureCHEMBL392730C27H32F2N6O4S574.6488 / 21.0No
577142D structureCHEMBL223642C46H64N10O12949.07613 / 11-2.5No
587962D structureCHEMBL398779C23H27N7O3449.5155 / 30.5Yes
593652D structureCHEMBL2024589C31H32N6O3536.6365 / 22.8No
594002D structureCHEMBL471704C22H21N5O5435.445 / 30.7Yes

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