Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02092474
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 |
C1A![]() | 1,4-BIS-{[N-(1-IMINO-1GUANIDINO- METHYL)]SULFANYLMETHYL}-3,6-DIMETHYL- BENZENE | A | 2ANQ | 0.84 | ![]() |
PTF![]() | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.84 | ![]() |
BAM![]() | BENZAMIDINE | U | 1F5K | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY8 | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | B | 2PSM | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY9 | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | A | 1C1N | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY6 | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | H,I | 1C5O | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | A | 1XX4 | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | A | 1HJ8 | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | A | 1C5P | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | B | 1C5Z | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | A,B | 1ZVW | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | A | 2ANW | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | A | 2ANY | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BYA | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | A | 1TIO | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY5 | 0.71 | ![]() |
BAM![]() | BENZAMIDINE | X | 2BY7 | 0.71 | ![]() |
HZH![]() | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one | A,B | 3DEA | 0.71 | ![]() |
3BT![]() | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.9 | ![]() |
FPR![]() | PROPYLBENZENE | C | 1RHK | 0.72 | ![]() |
PXY![]() | PARA-XYLENE | A | 187L | 0.74 | ![]() |
PXY![]() | PARA-XYLENE | A | 225L | 0.74 | ![]() |
BEN![]() | BENZAMIDINE | A | 2TIO | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J15 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 3BEU | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2U | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3CF8 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1S0R | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1V16 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1CC7 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 3BG8 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1CC8 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 3PTB | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1TRM | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ZHR | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 1NKZ | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2BLV | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 2GLP | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 3D49 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | H,L,T | 2AER | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J14 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1NSA | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2AYW | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1BRA | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D | 1A0J | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | B,C,D | 2AST | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 2CKR | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1LPU | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ZHM | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J8A | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 3BCX | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3CF9 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3D04 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 2GLL | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1AND | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2TBS | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP2 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2M | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2EEK | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 2ZI2 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2J | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | H | 1KLI | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1CE5 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3B7J | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | B,Y | 2PKA | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2VJ0 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 3B3J | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DOY | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP3 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 2GLM | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ANB | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1LO6 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1LR4 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1V1M | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ZHP | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2J9N | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2BMV | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 2CKS | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2BLW | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1J16 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 1V11 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP0 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | B | 1RTF | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DP1 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D | 2E58 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2TRM | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2V | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1MBQ | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D,E,F | 3DOZ | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2O8U | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | H | 1DWB | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | B,C | 2ASS | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ANE | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 2ZIQ | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1BIT | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2AIQ | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2OQ5 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1ANC | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | H | 1JBU | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 2BPQ | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B,C,D | 2GNN | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2S | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1H4W | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1OSS | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1W80 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1BTY | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | H,I | 2ZFQ | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1EAX | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1L2E | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1WRI | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A,B | 3BB8 | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 2OXS | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | A | 1DPO | 0.71 | ![]() |
BEN![]() | BENZAMIDINE | T | 1V2L | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 3D7O | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 1R1X | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 1JLX | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B,C,D | 3D17 | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 2VRL | 0.71 | ![]() |
MBN![]() | TOLUENE | A,I | 2Z3E | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 1YZI | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 2DN1 | 0.71 | ![]() |
MBN![]() | TOLUENE | A,B | 3EN1 | 0.71 | ![]() |
AM4![]() | 4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE | A | 1TX8 | 0.72 | ![]() |
N4B![]() | N-BUTYLBENZENE | A | 186L | 0.72 | ![]() |
IBZ![]() | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.71 | ![]() |
PYL![]() | PHENYLETHANE | C | 1B07 | 0.72 | ![]() |
PYL![]() | PHENYLETHANE | A,B | 2VRM | 0.72 | ![]() |
PYL![]() | PHENYLETHANE | A | 1NHB | 0.72 | ![]() |
SEH![]() | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.71 | ![]() |
4BT![]() | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.92 | ![]() |
817![]() | 1-{[N-(1-IMINO-GUANIDINO-METHYL)]SULFANYLMETHYL}- 3-TRIFLUOROMETHYL-BENZENE | A | 2ANO | 0.85 | ![]() |