BioLiP

PDB

BioLiP

PDB CCD ID:

OA2

Number of entries in BioLiP:

Chemical formula:

C18 H17 N3 O2

InChI:

InChI=1S/C18H17N3O2/c19-18-20-11-16(23-18)17(22)21(12-14-7-3-1-4-8-14)13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H2,19,20)

InChIKey:

KIJXWOGFYAWTNC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(N(Cc1ccccc1)Cc2ccccc2)c3oc(nc3)N
OpenEye OEToolkits 1.6.1	c1ccc(cc1)CN(Cc2ccccc2)C(=O)c3cnc(o3)N
CACTVS 3.352	Nc1oc(cn1)C(=O)N(Cc2ccccc2)Cc3ccccc3

Name:

2-AMINO-N,N-BIS(PHENYLMETHYL)-1,3-OXAZOLE-5-CARBOXAMIDE

ChEMBL:

CHEMBL1234905

DrugBank:

DB08315

ZINC:

ZINC000053683073

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).