BioLiP

PDB

BioLiP

PDB CCD ID:

4FY

Number of entries in BioLiP:

Chemical formula:

C15 H15 N3 O4

InChI:

InChI=1S/C15H15N3O4/c19-14(18-6-8-22-9-7-18)11-12(15(20)21)17-13(16-11)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17)(H,20,21)

InChIKey:

VLPLWGMKNLKROX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	OC(=O)c1[nH]c(nc1C(=O)N2CCOCC2)c3ccccc3
OpenEye OEToolkits 1.6.1	c1ccc(cc1)c2[nH]c(c(n2)C(=O)N3CCOCC3)C(=O)O
ACDLabs 10.04	O=C(c2nc(c1ccccc1)nc2C(=O)O)N3CCOCC3

Name:

4-(MORPHOLIN-4-YLCARBONYL)-2-PHENYL-1H-IMIDAZOLE-5-CARBOXYLIC ACID

ChEMBL:

CHEMBL1230282

ZINC:

ZINC000058626951

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).