BioLiP

PDB

BioLiP

PDB CCD ID:

TRF

Number of entries in BioLiP:

Chemical formula:

C12 H12 N2 O3

InChI:

InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m0/s1

InChIKey:

KRUDZOGZZBVSHD-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[CH](Cc1cn(C=O)c2ccccc12)C(O)=O
ACDLabs 10.04	O=C(O)C(N)Cc2c1ccccc1n(c2)C=O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(cn2C=O)C[C@@H](C(=O)O)N
CACTVS 3.341	N[C@@H](Cc1cn(C=O)c2ccccc12)C(O)=O
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)c(cn2C=O)CC(C(=O)O)N

Name:

N1-FORMYL-TRYPTOPHAN

ZINC:

ZINC000002572692

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).