BioLiP

PDB

BioLiP

PDB CCD ID:

ZIQ

Number of entries in BioLiP:

Chemical formula:

C12 H14 N2 O2

InChI:

InChI=1S/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(H,15,16)/t12-/m0/s1

InChIKey:

ZTTWHZHBPDYSQB-LBPRGKRZSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C](N)(Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 2.0.6	CC(Cc1c[nH]c2c1cccc2)(C(=O)O)N
OpenEye OEToolkits 2.0.6	C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N
CACTVS 3.385	C[C@](N)(Cc1c[nH]c2ccccc12)C(O)=O
ACDLabs 12.01	NC(C(O)=O)(Cc1cnc2c1cccc2)C

Name:

alpha-methyl-L-tryptophan

ZINC:

ZINC000000039095

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).