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BioLiP

PDB CCD ID: QRP
Number of entries in BioLiP: 43
Chemical formula: C16 H17 N3 O2
InChI: InChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1
InChIKey: RYFZBPVMVYTEKZ-KBPBESRZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3
ACDLabs 12.01O=C1N4C(C(=O)NC1Cc3c2ccccc2nc3)CCC4
OpenEye OEToolkits 1.7.0c1ccc2c(c1)c(c[nH]2)CC3C(=O)N4CCCC4C(=O)N3
CACTVS 3.370O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N4CCC[C@@H]14
CACTVS 3.370O=C1N[CH](Cc2c[nH]c3ccccc23)C(=O)N4CCC[CH]14
Name:(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione;
Brevianamide F;
cyclo-L-Trp-L-Pro
ChEMBL: CHEMBL563557
ZINC: ZINC000001582158
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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