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GPCR

NameGastrin-releasing peptide receptor
SpeciesHomo sapiens (Human)
GeneGRPR
SynonymGRP-R
GRP-preferring bombesin receptor
gastrin-releasing peptide receptor
BB2 receptor
BB2
DiseaseSolid tumours
Breast cancer
Cancer
Irritable bowel syndrome
Length384
Amino acid sequenceMALNDCFLLNLEVDHFMHCNISSHSADLPVNDDWSHPGILYVIPAVYGVIILIGLIGNITLIKIFCTVKSMRNVPNLFISSLALGDLLLLITCAPVDASRYLADRWLFGRIGCKLIPFIQLTSVGVSVFTLTALSADRYKAIVRPMDIQASHALMKICLKAAFIWIISMLLAIPEAVFSDLHPFHEESTNQTFISCAPYPHSNELHPKIHSMASFLVFYVIPLSIISVYYYFIAKNLIQSAYNLPVEGNIHVKKQIESRKRLAKTVLVFVGLFAFCWLPNHVIYLYRSYHYSEVDTSMLHFVTSICARLLAFTNSCVNPFALYLLSKSFRKQFNTQLLCCQPGLIIRSHSTGRSTTCMTSLKSTNPSVATFSLINGNICHERYV
UniProtP30550
Protein Data BankN/A
GPCR-HGmod modelP30550
3D structure modelThis predicted structure model is from GPCR-EXP P30550.
BioLiPN/A
Therapeutic Target DatabaseT99816
ChEMBLCHEMBL4959
IUPHAR39
DrugBankN/A

Ligand

NameSCHEMBL14959373
Molecular formulaC94H137N27O26S
IUPAC name2-[4-[2-[[2-[4-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[2-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]anilino]-2-oxoethyl]amino]-2-oxoethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular weight2093.35
Hydrogen bond acceptor33
Hydrogen bond donor26
XlogP-11.3
SynonymsN/A
Inchi KeyHRKBDZHDHRXEDL-BDCXEBKLSA-N
Inchi IDInChI=1S/C94H137N27O26S/c1-52(2)37-67(91(144)110-63(83(99)136)26-36-148-6)114-92(145)70(40-59-43-100-51-105-59)108-77(128)46-104-94(147)82(53(3)4)117-84(137)54(5)106-90(143)69(39-57-42-101-62-12-8-7-11-61(57)62)116-89(142)66(23-25-73(97)124)113-93(146)71(41-74(98)125)109-76(127)45-103-86(139)68(38-55-14-20-60(122)21-15-55)115-87(140)64(13-9-10-27-95)112-88(141)65(22-24-72(96)123)111-85(138)56-16-18-58(19-17-56)107-75(126)44-102-78(129)47-118-28-30-119(48-79(130)131)32-34-121(50-81(134)135)35-33-120(31-29-118)49-80(132)133/h7-8,11-12,14-21,42-43,51-54,63-71,82,101,122H,9-10,13,22-41,44-50,95H2,1-6H3,(H2,96,123)(H2,97,124)(H2,98,125)(H2,99,136)(H,100,105)(H,102,129)(H,103,139)(H,104,147)(H,106,143)(H,107,126)(H,108,128)(H,109,127)(H,110,144)(H,111,138)(H,112,141)(H,113,146)(H,114,145)(H,115,140)(H,116,142)(H,117,137)(H,130,131)(H,132,133)(H,134,135)/t54-,63-,64-,65-,66-,67-,68-,69-,70-,71-,82-/m0/s1
PubChem CID89574678
ChEMBLCHEMBL3949652
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC5010.0 nMNoneChEMBL

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