BioLiP

PDB

BioLiP

PDB CCD ID:

F4L

Number of entries in BioLiP:

Chemical formula:

C17 H21 N7 O3

InChI:

InChI=1S/C17H21N7O3/c1-17(2,3)27-16(26)19-13(14(25)20-15-21-23-24-22-15)8-10-9-18-12-7-5-4-6-11(10)12/h4-7,9,13,18H,8H2,1-3H3,(H,19,26)(H2,20,21,22,23,24,25)/t13-/m1/s1

InChIKey:

OGAGNLWYSIOVOG-CYBMUJFWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc3[nH]nnn3
CACTVS 3.385	CC(C)(C)OC(=O)N[CH](Cc1c[nH]c2ccccc12)C(=O)Nc3[nH]nnn3
OpenEye OEToolkits 2.0.7	CC(C)(C)OC(=O)NC(Cc1c[nH]c2c1cccc2)C(=O)Nc3[nH]nnn3
OpenEye OEToolkits 2.0.7	CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2)C(=O)Nc3[nH]nnn3
ACDLabs 12.01	O=C(Nc1nnn[NH]1)C(Cc1c[NH]c2ccccc21)NC(=O)OC(C)(C)C

Name:

Nalpha-(tert-butoxycarbonyl)-N-1H-tetrazol-5-yl-D-tryptophanamide

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).