BioLiP

PDB

BioLiP

PDB CCD ID:

62V

Number of entries in BioLiP:

Chemical formula:

C18 H13 Cl N2 O

InChI:

InChI=1S/C18H13ClN2O/c1-11-17-14-4-2-3-5-15(14)18(20-10-16(17)22-21-11)12-6-8-13(19)9-7-12/h2-9H,10H2,1H3

InChIKey:

LVBAGZIAQBWUJP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	Cc1c-2c(on1)CN=C(c3c2cccc3)c4ccc(cc4)Cl
CACTVS 3.385	Cc1noc2CN=C(c3ccc(Cl)cc3)c4ccccc4c12
ACDLabs 12.01	c1c(ccc(c1)Cl)C=2c4c(c3c(CN=2)onc3C)cccc4

Name:

6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepine

ChEMBL:

CHEMBL5281776

ZINC:

ZINC000146408371

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).