BioLiP

PDB

BioLiP

PDB CCD ID:

FR2

Number of entries in BioLiP:

Chemical formula:

C14 H17 N3 O2

InChI:

InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)/t12-/m1/s1

InChIKey:

ZUYUIKKHHBEVHL-GFCCVEGCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N
CACTVS 3.341	NC(=O)c1cn(cn1)[CH](CO)CCc2ccccc2
OpenEye OEToolkits 1.5.0	c1ccc(cc1)CCC(CO)n2cc(nc2)C(=O)N
ACDLabs 10.04	O=C(c1ncn(c1)C(CO)CCc2ccccc2)N
CACTVS 3.341	NC(=O)c1cn(cn1)[C@@H](CO)CCc2ccccc2

Name:

1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
FR221647

ChEMBL:

CHEMBL329433

DrugBank:

DB02096

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).