Structure of PDB 3cnt Chain B Binding Site BS02 |
| >3cnt Chain B (length=495) Species: 4932 (Saccharomyces cerevisiae)
[Search protein sequence]
[Download receptor structure]
[Download structure with residue number starting from 1]
[View receptor structure]
|
KKKVIIIGAGIAGLKAASTLHQNGIQDCLVLEARDRVGGRLQTVTGYQGR
KYDIGASWHHDTLTNPLFLEEAQLSLNDGRTRFVFDDDNFIYIDEERGRV
DHDKELLLEIVDNEMSKFAELEFHQHLCSFFQLVMKYLLQRRQFLTNDQI
RYLPQLCRYLELWHGLDWKLLSAKDTYFGHQGRNAFALNYDSVVQRIAQS
FPQNWLKLSCEVKSITREPSKNVTVNCEDGTVYNADYVIITVPQSVLNLS
VQPEKNLRGRIEFQPPLKPVIQDAFDKIHFGALGKVIFEFEECCWSNESS
KIVTLANSTNEFVEIVRNAENLDELDSMLERETSVTCWSQPLFFVNLSKS
TGVASFMMLMQAPLTNHIESIREDKERLFSFFQPVLNKIMKCLDSEDVID
GMRPIENIANANKPVLRNIIVSNWTRDPYSRGAYSACFPGDDPVDMVVAM
SNGQDSRIRFAGEHTIMDGAGCAYGAWESGRREATRISDLLKLEH |
|
|
| Ligand ID | SP9 |
| InChI | InChI=1S/C15H25N3O/c1-13(9-12-17-11-6-5-10-16)18-15(19)14-7-3-2-4-8-14/h2-4,7-8,13,17H,5-6,9-12,16H2,1H3,(H,18,19)/t13-/m1/s1 |
| InChIKey | UWDXTOVSVLCTLF-CYBMUJFWSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | CC(CCNCCCCN)NC(=O)c1ccccc1 | | CACTVS 3.341 | C[CH](CCNCCCCN)NC(=O)c1ccccc1 | | ACDLabs 10.04 | O=C(NC(C)CCNCCCCN)c1ccccc1 | CACTVS 3.341
OpenEye OEToolkits 1.5.0 | C[C@H](CCNCCCCN)NC(=O)c1ccccc1 |
|
| Formula | C15 H25 N3 O |
| Name | N-{(1R)-3-[(4-aminobutyl)amino]-1-methylpropyl}benzamide;
R-Bz-MeSpermidine |
| ChEMBL | |
| DrugBank | |
| ZINC | ZINC000058649655
|
| PDB chain | 3cnt Chain B Residue 518
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Catalytic site (original residue number in PDB) |
H67 |
| Catalytic site (residue number reindexed from 1) |
H60 |
| Enzyme Commision number |
1.5.3.17: non-specific polyamine oxidase. |
|
|
|
|
|
