BioLiP

PDB

BioLiP

PDB CCD ID:

UOF

Number of entries in BioLiP:

Chemical formula:

C18 H16 Cl2 N2 O3

InChI:

InChI=1S/C18H16Cl2N2O3/c19-12-9-13(20)16(11-5-2-1-3-6-11)14(10-12)21-18(25)22-8-4-7-15(22)17(23)24/h1-3,5-6,9-10,15H,4,7-8H2,(H,21,25)(H,23,24)/t15-/m1/s1

InChIKey:

WDPIFBOVEHBEDQ-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCC[C@@H]3C(=O)O
ACDLabs 12.01	OC(=O)C1CCCN1C(=O)Nc1cc(Cl)cc(Cl)c1c1ccccc1
CACTVS 3.385	OC(=O)[C@H]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCCC3C(=O)O
CACTVS 3.385	OC(=O)[CH]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3

Name:

1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline

ChEMBL:

CHEMBL5927960

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).