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BioLiP

PDB CCD ID: LTN
Number of entries in BioLiP: 7
Chemical formula: C11 H13 N3 O
InChI: InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1
InChIKey: JLSKPBDKNIXMBS-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N
ACDLabs 10.04O=C(N)C(N)Cc2c1ccccc1nc2
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(N)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)N
Name:L-TRYPTOPHANAMIDE
ChEMBL: CHEMBL227123
DrugBank: DB04537
ZINC: ZINC000000057505
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)(download the PDF file).
  • 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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