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BioLiP

PDB CCD ID: ZIQ
Number of entries in BioLiP: 60
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:
SoftwareSMILES
CACTVS 3.385C[C](N)(Cc1c[nH]c2ccccc12)C(O)=O
OpenEye OEToolkits 2.0.6CC(Cc1c[nH]c2c1cccc2)(C(=O)O)N
OpenEye OEToolkits 2.0.6C[C@](Cc1c[nH]c2c1cccc2)(C(=O)O)N
CACTVS 3.385C[C@](N)(Cc1c[nH]c2ccccc12)C(O)=O
ACDLabs 12.01NC(C(O)=O)(Cc1cnc2c1cccc2)C
Name:alpha-methyl-L-tryptophan
ZINC: ZINC000000039095
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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