Structure of PDB 1ztz Chain B Binding Site BS02 |
|
|
|
| Ligand ID | CB5 |
| InChI | InChI=1S/2C2H11B9.Co/c3-1-2-4-6(3)9(3)5(1)7(1,2)8(2,4)10(4,6,9)11(5,7,8)9;3-1-2-5-6(3)7(3)10-4(1)8(1,2,10)9(2,5,10)11(5,6,7)10;/h2*1-11H;/q2*-1;+2/t2*3-;/m10./s1 |
| InChIKey | LCYCHKJZRWLTHW-NQCAZLHCSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | [BH]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153 | | OpenEye OEToolkits 1.7.0 | [B@H]12[BH]345[BH]167[BH]389[BH]413[BH]54[BH]115[BH]383[CH]966[CH]722[Co]3611367([BH]524)[BH]24[BH]115[BH]228[BH]119[BH]353[BH]115[BH]922[BH]88[BH]211[CH]684[CH]7153 | | CACTVS 3.352 | [Co]|1|2|3|4|5|6|7|8([BH]9%10[BH]%11%12|1[BH]9%13[BH]%11%14%15[BH]%16|2%12[CH]%17%18|3[CH]%19|4%10[BH-]%20[BH]%17%19%21[BH]%14%16%18[BH+]%13%15%20%21)[BH]%22%23[BH]%24%25|5[BH]%26%27|6[CH]%28%29|7[CH]%30|8%22[BH]%31%32[BH]%23%24%33[BH]%25%26%34[BH]%27%28%35[BH]%29%30%31[BH]%32%33%34%35 |
|
| Formula | C4 H22 B18 Co |
| Name | COBALT BIS(1,2-DICARBOLLIDE) |
| ChEMBL | |
| DrugBank | |
| ZINC |
|
| PDB chain | 1ztz Chain B Residue 1002
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|
|
|
|
|
