BioLiP

PDB

BioLiP

PDB CCD ID:

TRN

Number of entries in BioLiP:

Chemical formula:

C10 H11 N3 O2

InChI:

InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1

InChIKey:

SNLOIIPRZGMRAB-QMMMGPOBSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)C(N)Cc2c1cccnc1nc2
OpenEye OEToolkits 1.5.0	c1cc2c(c[nH]c2nc1)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	c1cc2c(c[nH]c2nc1)CC(C(=O)O)N
CACTVS 3.341	N[CH](Cc1c[nH]c2ncccc12)C(O)=O
CACTVS 3.341	N[C@@H](Cc1c[nH]c2ncccc12)C(O)=O

Name:

NZ2-TRYPTOPHAN

DrugBank:

DB04206

ZINC:

ZINC000006093700

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).