BioLiP

PDB

BioLiP

PDB CCD ID:

VH7

Number of entries in BioLiP:

Chemical formula:

C23 H27 N3 O2

InChI:

InChI=1S/C23H27N3O2/c1-23(2,28)18-9-11-19(12-10-18)24-22(27)17-8-13-21-25-20(15-26(21)14-17)16-6-4-3-5-7-16/h3-8,13-15,18-19,28H,9-12H2,1-2H3,(H,24,27)/t18-,19-

InChIKey:

GOQZMCCBUBCPNK-WGSAOQKQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(C1CCC(CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4)O
CACTVS 3.385	CC(C)(O)[C@@H]1CC[C@H](CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4
ACDLabs 12.01	C1C(CCC(C(C)(O)C)C1)NC(=O)c4ccc2n(cc(n2)c3ccccc3)c4
CACTVS 3.385	CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2ccc3nc(cn3c2)c4ccccc4

Name:

N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

ChEMBL:

CHEMBL4864805

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).