BioLiP

PDB

BioLiP

PDB CCD ID:

D0Q

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O2

InChI:

InChI=1S/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m0/s1

InChIKey:

HUNCSWANZMJLPM-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6	Cc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.385	Cc1ccc2[nH]cc(C[C@H](N)C(O)=O)c2c1
CACTVS 3.385	Cc1ccc2[nH]cc(C[CH](N)C(O)=O)c2c1

Name:

5-methyl-L-tryptophan

ZINC:

ZINC000000391256

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).