BioLiP

PDB

BioLiP

PDB CCD ID:

NLF

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 O3

InChI:

InChI=1S/C12H12N2O3/c15-7-14-11(12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2,(H,14,15)(H,16,17)/t11-/m0/s1

InChIKey:

RNEMLJPSSOJRHX-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)[CH](Cc1c[nH]c2ccccc12)NC=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)NC=O
CACTVS 3.385	OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)NC=O
ACDLabs 12.01	O=C(O)C(NC=O)Cc1c[NH]c2ccccc21

Name:

N-formyl-L-tryptophan

ZINC:

ZINC000005280394

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).