BioLiP

PDB

BioLiP

PDB CCD ID:

LTN

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O

InChI:

InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1

InChIKey:

JLSKPBDKNIXMBS-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N
ACDLabs 10.04	O=C(N)C(N)Cc2c1ccccc1nc2
CACTVS 3.341	N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
CACTVS 3.341	N[CH](Cc1c[nH]c2ccccc12)C(N)=O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N

Name:

L-TRYPTOPHANAMIDE

ChEMBL:

CHEMBL227123

DrugBank:

DB04537

ZINC:

ZINC000000057505

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).