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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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GPCR

NameC-C chemokine receptor type 5
SpeciesHomo sapiens (Human)
GeneCCR5
SynonymCD195
chemokine (C-C motif) receptor 5 (gene/pseudogene)
CHEMR13
CCR5
CCR-5
[ Show all ]
DiseaseHuman immunodeficiency virus infection
Length352
Amino acid sequenceMDYQVSSPIYDINYYTSEPCQKINVKQIAARLLPPLYSLVFIFGFVGNMLVILILINCKRLKSMTDIYLLNLAISDLFFLLTVPFWAHYAAAQWDFGNTMCQLLTGLYFIGFFSGIFFIILLTIDRYLAVVHAVFALKARTVTFGVVTSVITWVVAVFASLPGIIFTRSQKEGLHYTCSSHFPYSQYQFWKNFQTLKIVILGLVLPLLVMVICYSGILKTLLRCRNEKKRHRAVRLIFTIMIVYFLFWAPYNIVLLLNTFQEFFGLNNCSSSNRLDQAMQVTETLGMTHCCINPIIYAFVGEKFRNYLLVFFQKHIAKRFCKCCSIFQQEAPERASSVYTRSTGEQEISVGL
UniProtP51681
Protein Data Bank4mbs, 6aky, 6akx, 5uiw
GPCR-HGmod modelP51681
3D structure modelThis structure is from PDB ID 4mbs.
BioLiPBL0430746, BL0430745, BL0430742,BL0430744, BL0430741,BL0430743, BL0382816, BL0256313,BL0256315, BL0256312,BL0256314
Therapeutic Target DatabaseT72171
ChEMBLCHEMBL274
IUPHAR62
DrugBankBE0000911

Known ligands

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Total entries: 2331
Page:  / 24 

GLASS IDMoleculeFormulaMolecular weightH-bond acceptor / donorXlogPLipinski's druglikeness
1322D structureCHEMBL316073C29H31ClN2O459.032 / 06.1No
1642D structureCHEMBL522158C30H32Cl2N4O4583.516 / 14.8No
1702D structureBDBM50242234C15H16O5276.2885 / 00.7Yes
3602D structureCHEMBL3263023C25H29N5O2431.546 / 13.1Yes
3862D structureCHEMBL310369C24H33N3O4S459.6056 / 13.5Yes
4552D structureCHEMBL309922C30H38N4O3S534.7195 / 24.4No
5782D structureCHEMBL330570C35H36Cl2N2O3S2667.7046 / 07.2No
7112D structureCHEMBL368265C36H48N4O2568.8065 / 14.6No
4416952D structureCHEMBL3397986C30H40ClFN4O2543.1245 / 04.5No
7282D structureCHEMBL93168C29H31BrN2O503.4842 / 06.1No
7562D structureCID 136859397C43H32N10Na4O17S41180.9818 / 8N/ANo
7792D structureCHEMBL172944C39H47FN4O2622.8296 / 15.7No
10792D structureCHEMBL499729C32H51N5O4569.7917 / 04.5No
10802D structureCHEMBL2203618C27H32N4O428.583 / 14.1Yes
16952D structureCHEMBL382252C29H38Cl2N4O4S609.6076 / 14.3No
17052D structureAC1LA24OC35H44N4O536.7644 / 06.8No
18002D structureCHEMBL183261C32H39N3O481.6842 / 16.4No
22352D structureCHEMBL284010C32H40F2N2O4554.6798 / 21.7No
23282D structureCHEMBL199119C38H43N3O4S637.8395 / 16.1No
32022D structureCHEMBL26790C33H36Cl2N4O2591.5773 / 16.1No
35022D structureCHEMBL172551C33H44N4O2528.7415 / 13.6No
35872D structureCHEMBL382435C32H38ClFN2O5S2649.2337 / 05.2No
38242D structureCHEMBL2178577C32H44F2N2O5S2638.838 / 04.7No
38262D structureCHEMBL310106C34H43ClN4O5S655.2517 / 15.6No
42292D structureCHEMBL205964C33H46Cl2N4O4S665.7156 / 15.6No
48122D structureCHEMBL3263322C27H34N6O2474.6097 / 13.3Yes
48482D structureCHEMBL2064265C20H32N+286.4830 / 06.8No
48492D structureCHEMBL2057534C20H32N+286.4830 / 06.8No
54712D structure4'-Chloro-2,2':6',2''-terpyridineC15H10ClN3267.7163 / 03.0Yes
55922D structureCHEMBL592940C31H39F2N5O2551.6837 / 03.8No
58882D structureCHEMBL1171291C28H37N3O3463.6224 / 14.8Yes
60922D structureCHEMBL327478C29H33ClN2445.0472 / 06.4No
61492D structureCHEMBL322693C27H35FN2O2438.5875 / 13.1Yes
66632D structureCHEMBL1813269C33H45N3O5563.7396 / 25.8No
70972D structureCHEMBL427137C27H38N2O406.6142 / 05.7No
72992D structureCHEMBL164484C26H31BrCl2N4O3598.3635 / 04.8No
73002D structureCHEMBL138640C26H31BrCl2N4O3598.3635 / 04.8No
74452D structureCHEMBL480890C34H45N3O2S559.8136 / 15.2No
74702D structureCHEMBL426960C31H35N3O3497.6394 / 06.1No
74902D structureCHEMBL341928C30H39BrN4O3583.5715 / 15.3No
75292D structureCHEMBL140484C34H41BrN4O2617.6325 / 06.9No
76992D structureCHEMBL79504C29H32Cl2N2O3S2591.6066 / 05.5No
79242D structureCHEMBL432170C29H40F3N5O531.6688 / 05.1No
81602D structureCHEMBL2203614C27H34N4O430.5963 / 14.5Yes
84012D structureCHEMBL2164220C25H32ClN5O2S502.0746 / 13.8No
84252D structureCHEMBL263529C37H51FN4O2602.8396 / 15.2No
86122D structureBDBM50115530C27H34BrN3O2512.4924 / 05.4No
87892D structureCHEMBL177071C34H44F2N4O2578.7497 / 14.2No
92802D structureCHEMBL91374C29H32Cl2N2O4S2607.6056 / 05.7No
92832D structureCHEMBL1173647C32H43ClFN3O3572.1625 / 2N/ANo
92992D structureCHEMBL118544C36H45N3O6S647.8317 / 07.2No
97682D structureCHEMBL505595C34H51N5O3577.8146 / 04.7No
99782D structureCHEMBL1813448C32H41N3O6563.6957 / 32.8No
4420942D structureCHEMBL3397998C30H40ClFN4O2543.1245 / 04.4No
104532D structureCHEMBL536754C32H44ClN3O4570.1715 / 3N/ANo
104542D structureCHEMBL182403C29H32N2O2440.5873 / 05.6No
105032D structureCHEMBL1683055C25H36F3N3O2467.5777 / 14.2Yes
106402D structureCHEMBL58248C33H39N5O2537.7085 / 04.4No
106912D structureCHEMBL2164206C24H34ClN5O3S508.0786 / 23.8No
113602D structureCHEMBL1952100C31H43Cl2N3O5S2672.7217 / 04.9No
113822D structureCHEMBL322439C29H34N6O6562.6278 / 04.7No
114692D structureSCHEMBL6012808C23H35N3O2385.5523 / 13.7Yes
114742D structureCHEMBL1288880C41H49ClF5N5O4S838.37611 / 27.7No
114762D structureCHEMBL88455C29H34N2O2S2506.7235 / 05.7No
118702D structureCHEMBL205851C28H35Cl2FN4O2549.5125 / 15.2No
4643092D structureCHEMBL3604302C26H26Cl3N3O2518.8633 / 2N/ANo
120722D structureCHEMBL182557C29H33FN2O444.5943 / 05.8No
121752D structureSCHEMBL3459521C40H51N5O4S697.9398 / 16.9No
121762D structureAQXIPTPSJDOCRP-UHFFFAOYSA-NC40H51N5O4S697.9398 / 16.9No
122292D structureCHEMBL61466C26H34ClN3O440.0283 / 15.7No
124122D structureCHEMBL177156C39H47FN4O4S686.8878 / 14.5No
131902D structureCHEMBL460630C28H37N3O3463.6224 / 23.9Yes
133432D structureCHEMBL79369C28H34ClN3O2S512.1095 / 05.8No
134532D structureCHEMBL250689C28H36FN3O2465.6134 / 25.2No
134792D structureTAK-220C31H41ClN4O3553.1444 / 14.2No
135472D structureCHEMBL1172044C33H42BrN3O4624.625 / 15.3No
137522D structureCHEMBL198277C31H37ClN2O3S553.1584 / 05.9No
139482D structureCHEMBL1171877C29H44FN3O2485.6884 / 25.8No
139632D structureCHEMBL2064266C20H34N+288.4990 / 07.2No
142662D structureCHEMBL161093C33H40N2O480.6963 / 07.6No
144112D structureCHEMBL2259883C27H36N2O3S2500.7166 / 04.3No
144152D structureCHEMBL428104C30H42FN5O2523.6978 / 13.4No
150952D structuredisulfiramC10H20N2S4296.5244 / 03.9Yes
160152D structureCHEMBL310645C26H37N3O4S487.6596 / 04.0Yes
164052D structureCHEMBL176426C35H44F4N4O3644.75610 / 15.3No
166112D structureCHEMBL170717C33H39Cl2FN4O2613.5996 / 25.4No
168472D structureCHEMBL90272C25H33Cl2N3O3S2558.5777 / 03.9No
173062D structureCHEMBL93961C31H40ClN3O3538.1294 / 06.1No
174792D structureCHEMBL234843C21H24BrClN2O3467.7884 / 14.8Yes
176962D structureCHEMBL408800C34H45FN4O3576.7577 / 23.7No
176972D structureCHEMBL368375C34H45FN4O3576.7577 / 23.7No
178052D structureCHEMBL395844C15H14ClFN4O320.7524 / 22.7Yes
178192D structureCHEMBL118196C34H44N2O4S576.7965 / 07.0No
178642D structureCHEMBL64322C33H39IN2O2622.5913 / 1N/ANo
180322D structureCHEMBL175348C35H46F2N4O3608.7758 / 14.1No
182542D structureCHEMBL418120C33H39N5O2537.7085 / 04.4No
184032D structureCHEMBL1288877C41H48ClF2N5O5S796.37210 / 17.1No
184502D structureCHEMBL58004C30H37N5O2499.6595 / 04.2Yes
4651642D structureCHEMBL3604306C28H26ClN5O2499.9995 / 2N/AN/A
189632D structureCHEMBL312701C28H33ClN2O2S497.0944 / 06.1No

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