BioLiP

PDB

BioLiP

PDB CCD ID:

5NL

Number of entries in BioLiP:

Chemical formula:

C14 H12 N2 O2

InChI:

InChI=1S/C14H12N2O2/c17-13-12(15-14(18)16-13)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8H2,(H2,15,16,17,18)/t12-/m0/s1

InChIKey:

CHRJCAZBQNADBP-LBPRGKRZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	O=C1N[CH](Cc2ccc3ccccc3c2)C(=O)N1
ACDLabs 12.01	O=C1NC(=O)C(N1)Cc2ccc3c(c2)cccc3
OpenEye OEToolkits 1.7.6	c1ccc2cc(ccc2c1)CC3C(=O)NC(=O)N3
OpenEye OEToolkits 1.7.6	c1ccc2cc(ccc2c1)C[C@H]3C(=O)NC(=O)N3
CACTVS 3.385	O=C1N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1

Name:

5-(2-NAPHTHYLMETHYL)-L-HYDANTOIN

ZINC:

ZINC000005777875

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).