BioLiP

PDB

BioLiP

PDB CCD ID:

HBN

Number of entries in BioLiP:

Chemical formula:

C16 H16 N4 O

InChI:

InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m1/s1

InChIKey:

DKDILZBBFKZMRO-OAHLLOKOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N
ACDLabs 10.04	O=C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3
CACTVS 3.341	N[CH](Cc1[nH]cnc1)C(=O)Nc2ccc3ccccc3c2
CACTVS 3.341	N[C@H](Cc1[nH]cnc1)C(=O)Nc2ccc3ccccc3c2

Name:

N-(2-NAPHTHYL)HISTIDINAMIDE;
L-HISTIDINE BETA NAPHTHYLAMIDE

DrugBank:

DB01938

ZINC:

ZINC000008585585

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).