Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02193020
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 |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.76 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.7 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.7 | ![]() |
AS0![]() | 4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME | A | 2OVH | 0.71 | ![]() |
AS0![]() | 4-[(11BETA,17BETA)-17-METHOXY-17- (METHOXYMETHYL)-3-OXOESTRA-4,9- DIEN-11-YL]BENZALDEHYDE OXIME | A | 2OVM | 0.71 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.73 | ![]() |
LEG![]() | 1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE | A,B | 2PIN | 0.7 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.71 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.71 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.71 | ![]() |
MQ9![]() | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.71 | ![]() |
MQ7![]() | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.71 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.76 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.73 | ![]() |
PQN![]() | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.73 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.73 | ![]() |
PQN![]() | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.73 | ![]() |
PQN![]() | PHYLLOQUINONE | 0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z | 1QZV | 0.73 | ![]() |
MQ8![]() | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.71 | ![]() |