Structure of PDB 7rbt Chain R Binding Site BS01

Receptor Information
>7rbt Chain R (length=378) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GQTAGELYQRWERYRRECQETLAAAEPPSGLACNGSFDMYVCWDYAAPNA
TARASCPWYLPWHHHVAAGFVLRQCGSDGQWGLWRDHTQCENPEKNEAFL
DQRLILERLQVMYTVGYSLSLATLLLALLILSLFRRLHCTRNYIHINLFT
SFMLRAAAILSRDRLLPRPGPYLGDQALALWNQALAACRTAQIVTQYCVG
ANYTWLLVEGVYLHSLLVLVGGSEEGHFRYYLLLGWGAPALFVIPWVIVR
YLYENTQCWERNEVKAIWWIIRTPILMTILINFLIFIRILGILLSKLRTR
DYRLRLARSTLTLVPLLGVHEVVFAPVTEEQARGALRFAKLGFEIFLSSF
QGFLVSVLYCFINKEVQSEIRRGWHHCR
Ligand information
Ligand ID41Y
InChIInChI=1S/C32H41FN2O2/c1-19(2)18-34-29-17-25(16-28(33)32(29)36)31-27-14-15-35(22(6)26(27)12-13-30(31)37-7)21(5)24-10-8-23(9-11-24)20(3)4/h8-13,16-17,19-22,34,36H,14-15,18H2,1-7H3/t21-,22+/m0/s1
InChIKeyXXBAYVUJUAKTFU-FCHUYYIVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1c2ccc(c(c2CCN1C(C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC
ACDLabs 12.01CC(C)c1ccc(cc1)C(C)N1CCc2c(ccc(OC)c2c2cc(F)c(O)c(NCC(C)C)c2)C1C
OpenEye OEToolkits 2.0.7C[C@@H]1c2ccc(c(c2CCN1[C@@H](C)c3ccc(cc3)C(C)C)c4cc(c(c(c4)F)O)NCC(C)C)OC
CACTVS 3.385COc1ccc2[CH](C)N(CCc2c1c3cc(F)c(O)c(NCC(C)C)c3)[CH](C)c4ccc(cc4)C(C)C
CACTVS 3.385COc1ccc2[C@@H](C)N(CCc2c1c3cc(F)c(O)c(NCC(C)C)c3)[C@@H](C)c4ccc(cc4)C(C)C
FormulaC32 H41 F N2 O2
Name2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol
ChEMBL
DrugBank
ZINC
PDB chain7rbt Chain R Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7rbt Structural determinants of dual incretin receptor agonism by tirzepatide.
Resolution3.08 Å
Binding residue
(original residue number in PDB)		V347 H353 L380 F383 Q384 L387
Binding residue
(residue number reindexed from 1)		V314 H320 L347 F350 Q351 L354
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004888 transmembrane signaling receptor activity
GO:0004930 G protein-coupled receptor activity
GO:0005515 protein binding
GO:0008528 G protein-coupled peptide receptor activity
GO:0016519 gastric inhibitory peptide receptor activity
GO:0017046 peptide hormone binding
GO:0120022 glucagon family peptide binding
Biological Process
GO:0002029 desensitization of G protein-coupled receptor signaling pathway
GO:0006091 generation of precursor metabolites and energy
GO:0007166 cell surface receptor signaling pathway
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007188 adenylate cyclase-modulating G protein-coupled receptor signaling pathway
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007190 activation of adenylate cyclase activity
GO:0007204 positive regulation of cytosolic calcium ion concentration
GO:0007584 response to nutrient
GO:0009749 response to glucose
GO:0031018 endocrine pancreas development
GO:0032024 positive regulation of insulin secretion
GO:0038192 gastric inhibitory peptide signaling pathway
GO:0043950 positive regulation of cAMP-mediated signaling
GO:0048678 response to axon injury
GO:0050796 regulation of insulin secretion
GO:0051592 response to calcium ion
GO:0070542 response to fatty acid
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7rbt, PDBe:7rbt, PDBj:7rbt
PDBsum7rbt
PubMed35333651
UniProtP48546|GIPR_HUMAN Gastric inhibitory polypeptide receptor (Gene Name=GIPR)

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