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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

NameSubstance-P receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR1
SynonymNK-1 receptor
NK-1R
SPR
Tachykinin receptor 1
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
UniProtP30547
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3942
IUPHARN/A
DrugBankN/A

Known ligands

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Total entries: 662
Page:  / 7 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
15162D structureCHEMBL556537C70H89F6N11O151438.5322 / 145.8No
18352D structureCHEMBL2304114C97H126N18O19S1880.2421 / 157.8No
23792D structureCHEMBL418124C38H42ClN5O8732.2318 / 44.9No
24922D structureSubstance PC63H98N18O13S1347.6517 / 15-2.3No
27992D structuresub-stance pC63H98N18O13S1347.6517 / 15-2.3No
4632292D structureCHEMBL3609619C32H30F6N4O5664.60512 / 54.5No
30112D structureCHEMBL303116C30H32N4O3496.6113 / 34.3Yes
30842D structureCHEMBL291602C29H35N7O7593.6417 / 7-0.8No
31712D structureCHEMBL557188C60H72F6N10O91191.2916 / 107.4No
32652D structureCHEMBL322194C39H48N4O6668.8358 / 05.4No
39522D structureCHEMBL441206C75H109N19O131484.8216 / 150.5No
40122D structureCHEMBL361596C33H34F6N4O2632.65111 / 07.2No
47822D structureCHEMBL302892C37H38N4O4602.7354 / 25.0No
55762D structureCHEMBL330172C41H45N5O5687.8418 / 05.8No
56382D structureCHEMBL544284C33H35N5O6597.6727 / 42.6No
81902D structureCHEMBL293726C35H38N4O7626.717 / 35.0No
90552D structureCHEMBL369859C34H39Cl2N3O6656.6017 / 14.8No
95712D structureCHEMBL355506C28H29Cl2N5O3554.4726 / 13.2No
99612D structureCHEMBL387670C61H73F6N9O101206.317 / 88.1No
103802D structureCHEMBL96442C41H45N5O5687.8418 / 05.8No
116752D structureCHEMBL384541C63H96N14O12S1273.6115 / 121.2No
125542D structureCHEMBL389724C27H26F6N4O2552.52111 / 06.3No
125552D structureCHEMBL229187C27H26F6N4O2552.52111 / 06.3No
137532D structureCHEMBL352734C29H30Cl2N4O3553.4845 / 14.2No
137562D structureCHEMBL291868C31H31N3O4S541.6665 / 24.6No
139872D structureCHEMBL2304107C83H118N18O17S1672.0319 / 153.6No
140282D structureCHEMBL1766208C61H74F6N10O9S1237.3717 / 107.3No
140832D structureCHEMBL611925C57H64F6N10O9S21211.3118 / 106.0No
140962D structureCHEMBL611924C57H64F6N10O9S21211.3118 / 106.0No
160202D structureCHEMBL152239C27H29FN2400.5413 / 15.5No
161382D structureH-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-O-BzlC52H62N8O9943.11510 / 85.0No
165302D structureCHEMBL335248C32H53N7O6S663.8798 / 71.4No
173722D structureCHEMBL291634C28H28N4O3468.5573 / 33.7Yes
180512D structureCHEMBL2304032C80H112N16O17S21633.9920 / 134.3No
180552D structureCHEMBL2079568C80H112N16O17S21633.9920 / 144.7No
182472D structureCHEMBL67508C32H39Cl4N5O4699.4956 / 15.6No
182502D structureCHEMBL66635C32H39Cl4N5O4699.4956 / 15.6No
182522D structureCHEMBL441252C32H39Cl4N5O4699.4956 / 15.6No
186582D structureCHEMBL39595C39H50Cl2IN3O2790.6524 / 1N/ANo
208642D structureCHEMBL449091C45H64N10O10905.06710 / 100.2No
219712D structureL-Serine,N-[1-oxo-3-(2-pentylphenyl)propyl]-L-threonyl-(aE)-a,b-didehydro-N-methyltyrosyl-L-leucyl-D-phenylalanyl-L-allothreonyl-L-asparaginyl-,(7®1)-lactoneC54H72N8O131041.2113 / 104.9No
220312D structureCHEMBL94834C43H44F4N4O5772.84211 / 07.8No
224622D structureCHEMBL303548C36H36N4O4588.7084 / 24.6No
224682D structureL001421C36H36N4O4588.7084 / 24.6No
229842D structureCHEMBL426363C56H63F6N9O101136.1617 / 96.1No
236202D structureUNII-G9BL4978MZC27H25Cl2F6N3O3624.4059 / 26.2No
243632D structureCHEMBL354170C32H34Cl2N4O4609.5485 / 24.1No
244222D structureCHEMBL292256C32H33N5O6583.6456 / 23.2No
266782D structureCHEMBL411176C50H70N10O10S21035.2913 / 93.6No
267262D structureCHEMBL538131C64H80F6N10O151343.3922 / 154.8No
274042D structureCHEMBL2370937C64H99N20O13+1356.6217 / 15-0.9No
293482D structureCHEMBL443237C30H31Cl2N3O3552.4964 / 15.0No
293882D structureCHEMBL293200C43H45N5O6727.8626 / 57.3No
294602D structureCHEMBL2304129C81H113N17O18S1644.9620 / 133.2No
297362D structureCHEMBL441454C45H66N12O7S919.1610 / 101.1No
5581822D structureCHEMBL288123C38H46Cl2N3O3+663.7043 / 16.8No
307382D structureCHEMBL265115C49H76N12O9S1009.2811 / 100.9No
317712D structureCHEMBL266884C41H52N8O7S800.9768 / 62.8No
4429112D structureCHEMBL3349688C41H52N8O7S800.9768 / 62.8No
320372D structureCHEMBL320003C35H38Cl2N4O5665.6127 / 16.6No
348502D structureCHEMBL262048C39H57N7O6S751.9888 / 63.0No
348512D structureCHEMBL407511C39H57N7O6S751.9888 / 63.0No
362122D structureL-732,138C22H18F6N2O3472.3879 / 24.7Yes
364042D structureCHEMBL225297C39H47N9O7S785.92110 / 71.2No
372442D structureCHEMBL307433C45H66N10O10907.08310 / 100.8No
375802D structureCHEMBL264821C34H38N4O4566.7024 / 24.1No
382122D structureCHEMBL294737C32H39N5O8621.6918 / 42.7No
384922D structureCHEMBL436879C69H108N18O13S1429.817 / 14-0.5No
385372D structureCHEMBL543338C32H38ClN5O3576.1384 / 5N/ANo
390762D structureCHEMBL2304085C64H97N15O12S1300.6316 / 101.6No
398142D structureCHEMBL387937C33H35F6N5O3663.66512 / 06.4No
398152D structureCHEMBL229514C33H35F6N5O3663.66512 / 06.4No
414732D structureCHEMBL95076C42H48N4O7720.8679 / 05.6No
415072D structureCHEMBL2304128C53H78N10O13S1095.3214 / 82.4No
426672D structureCHEMBL171876C31H35Cl2N3O6S648.5968 / 14.6No
431042D structureCHEMBL157858C37H43N5O6653.786 / 43.4No
438222D structureCHEMBL2419542C49H53F6N7O8981.99415 / 86.9No
445332D structureCHEMBL2304101C83H111N19O18S1694.9820 / 172.9No
446332D structureCHEMBL294288C35H45N5O8663.7728 / 44.0No
5228952D structureCHEMBL3735298C57H66F7N9O81138.216 / 87.2No
476362D structureCHEMBL2304093C79H107N15O16S1554.8718 / 115.6No
477962D structureCHEMBL119990C29H31NO3S473.6314 / 04.5Yes
486002D structureCHEMBL2304098C76H106N20O14S1555.8718 / 18-1.6No
488382D structureCHEMBL308363C37H44N6O6668.7956 / 62.9No
491032D structureCHEMBL353480C33H37Cl2N3O6642.5748 / 05.3No
497362D structureCHEMBL2370054C49H67N9O11958.12711 / 83.6No
499272D structureCHEMBL182146C28H25F6N3O3565.51611 / 05.7No
503072D structureCHEMBL94726C43H45FN4O7748.85210 / 06.8No
503772D structureCHEMBL435717C53H59N9O6918.1128 / 86.4No
504282D structureSubstance P, C-terminal pentapeptideC36H49N7O7S723.898 / 72.1No
508382D structureCHEMBL318369C41H48Cl2N4O7779.7569 / 07.0No
520282D structureGR 94800C49H61N9O8904.0828 / 74.4No
524332D structureCHEMBL406889C56H78N12O11S1127.3713 / 113.9No
524872D structure76260-78-1C64H99N17O14S1362.6618 / 14-1.3No
524892D structureCHEMBL2304030C64H99N17O14S1362.6618 / 14-1.3No
524912D structureCHEMBL2304102C64H99N17O14S1362.6618 / 14-1.3No
527312D structureCHEMBL66106C30H36Cl4N4O3642.4435 / 06.7No
527362D structureCHEMBL68060C30H36Cl4N4O3642.4435 / 06.7No
531652D structureCHEMBL354288C34H39Cl2N3O6656.6017 / 15.2No
533302D structureCHEMBL289727C38H48Cl2IN3O2776.6254 / 1N/ANo

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