BioLiP

PDB

BioLiP

PDB CCD ID:

RY5

Number of entries in BioLiP:

Chemical formula:

C15 H12 Cl N3 O3

InChI:

InChI=1S/C15H12ClN3O3/c16-10-1-2-12-9(7-10)3-5-15(12)13(20)19(14(21)17-15)8-11-4-6-22-18-11/h1-2,4,6-7H,3,5,8H2,(H,17,21)/t15-/m0/s1

InChIKey:

BIZQWNOTOCHPKD-HNNXBMFYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)Cc4ccon4
CACTVS 3.385	Clc1ccc2c(CC[C@]23NC(=O)N(Cc4ccon4)C3=O)c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1Cl)CCC23C(=O)N(C(=O)N3)Cc4ccon4

Name:

(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione

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).