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BioLiP Library

PDB CCD ID: HBN
Number of entries in BioLiP: 2
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:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N
ACDLabs 10.04O=C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3
CACTVS 3.341N[CH](Cc1[nH]cnc1)C(=O)Nc2ccc3ccccc3c2
CACTVS 3.341N[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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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