BioLiP

PDB

BioLiP

PDB CCD ID:

VJ3

Number of entries in BioLiP:

Chemical formula:

C18 H18 N2 O3

InChI:

InChI=1S/C18H18N2O3/c21-17(22)16-11-6-12-20(16)18(23)19-15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-5,7-10,16H,6,11-12H2,(H,19,23)(H,21,22)/t16-/m0/s1

InChIKey:

FNKODVVRWXUHMU-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH]1CCCN1C(=O)Nc2ccccc2c3ccccc3
ACDLabs 12.01	OC(=O)C1CCCN1C(=O)Nc1ccccc1c1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccccc2NC(=O)N3CCCC3C(=O)O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccccc2NC(=O)N3CCC[C@@H]3C(=O)O
CACTVS 3.385	OC(=O)[C@H]1CCCN1C(=O)Nc2ccccc2c3ccccc3

Name:

1-[([1,1'-biphenyl]-2-yl)carbamoyl]-D-proline

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).