Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023190
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
BIH![]() | NAPHTHALENE-2,6-DISULFONIC ACID | A | 1U4S | 0.79 | ![]() |
DMX![]() | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.7 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.72 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.72 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.71 | ![]() |
M25![]() | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.71 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.7 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.7 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.7 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.7 | ![]() |
B2F![]() | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.7 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | 1 | 1YYY | 0.76 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | A | 1MEM | 0.76 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | A,D,E | 1FH0 | 0.76 | ![]() |
BNS![]() | HYDROSULFONYLBENZENE | A,B,C,D | 1PQ9 | 0.76 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.82 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.82 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.82 | ![]() |
AES![]() | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.82 | ![]() |
B69![]() | A | 2ZCR | 0.71 | ![]() | |
1PB![]() | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.71 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.77 | ![]() |
I4B![]() | ISOBUTYLBENZENE | A | 184L | 0.75 | ![]() |
AM4![]() | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE | A | 1TX8 | 0.71 | ![]() |
FBU![]() | 3,5-DIFLUOROBENZENESULFONAMIDE | A | 1IF6 | 0.71 | ![]() |
FBT![]() | 2,6-DIFLUOROBENZENESULFONAMIDE | A | 1IF5 | 0.71 | ![]() |
BPS![]() | A,B | 2DE4 | 0.85 | ![]() | |
BBS![]() | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.88 | ![]() |
BBS![]() | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.88 | ![]() |
BDB![]() | A,B | 1KE3 | 0.71 | ![]() | |
M29![]() | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A | 2NNV | 0.72 | ![]() |
M29![]() | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A,B | 2NN7 | 0.72 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.84 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.84 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.84 | ![]() |
2AB![]() | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.84 | ![]() |
FBS![]() | 4-FLOUROBENZENESULFONAMIDE | A | 1IF4 | 0.74 | ![]() |