Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01368985
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 |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1BZS | 0.73 | |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1I76 | 0.73 | |
CCR | [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)- L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]- PIPERIDINE | A | 1K1N | 0.74 | |
CCR | [N-[N-(4-METHOXY-2,3,6-TRIMETHYLPHENYLSULFONYL)- L-ASPARTYL]-D-(4-AMIDINO-PHENYLALANYL)]- PIPERIDINE | H,I | 1YPK | 0.74 | |
189 | N-BENZYL-2-(2,6-DIMETHYLPHENOXY)- N-[((3R,4S)-4-{[ISOBUTYL(PHENYLSULFONYL)AMINO]METHYL}PYRROLIDIN- 3-YL)METHYL]ACETAMIDE | A,B | 1XL2 | 0.71 | |
HBH | 2-[(8S,11S)-11-{(1R)-1-HYDROXY- 2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}- 6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA- 1(15),13,16-TRIEN-8-YL]ACETAMIDE | A,B | 1Z1R | 0.71 | |
F1N | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin- 4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide | A | 2ZJN | 0.7 | |
DRF | (2S)-2-ETHOXY-3-{4-[2-(10H-PHENOXAZIN- 10-YL)ETHOXY]PHENYL}PROPANOIC ACID | A | 1NYX | 0.71 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTV | 0.71 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTU | 0.71 | |
BX3 | (+)-2-[4-[(-1-ACETIMIDOYL-4-PIPERIDINYL)OXY]- 3-(7-AMIDINO-2-NAPHTHYL)PROPIONIC ACID | A | 1MTS | 0.71 | |
K21 | 4-[3-{1-(4-BENZYL)PIPERODINYL}PROPIONYL]- 7-METHOXY-2,3,4,5-TERTRAHYDRO-1,4- BENZOTHIAZEPINE | A,B | 1HAK | 0.71 | |
LK1 | N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]- L-GLUTAMIC ACID | A | 2JFH | 0.76 | |
C4M | N-[(2R,3S)-3-AMINO-2-HYDROXY-4- PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE | B,I | 2C93 | 0.7 | |
AAY | 8-[2-((2S)-4-HYDROXY-1-{[5-(HYDROXYMETHYL)- 6-METHOXY-2-NAPHTHYL]METHYL}-6- OXOPIPERIDIN-2-YL)ETHYL]-3,7-DIMETHYL- 1,2,3,7,8,8A-HEXAHYDRONAPHTHALEN- 1-YL 2-METHYLBUTANOATE | A,B | 1XDD | 0.71 | |
BBH | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1D8M | 0.74 | |
BBH | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)- 6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE | A,B | 1G05 | 0.74 | |
BHP | (S)-5-(4-BENZYLOXY-PHENYL)-4-(7- PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID | A,B | 1J1A | 0.72 | |
886 | N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine | A,B,C,D | 2RJP | 0.74 | |
AGG | TIROFIBAN | A,B | 2VDM | 0.79 | |
HA2 | 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]- 6-OXOHEXANOIC ACID) | A | 2VJ8 | 0.71 | |
F1M | N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin- 4-yl}-2-(4-sulfamoylphenoxy)acetamide | A | 2ZJM | 0.71 | |
DZG | 1-(2,3-dihydro-1,4-benzodioxin- 6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine | A,B,C,D | 3GQY | 0.7 | |
DCH | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.73 | |
HBB | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8- ISOPROPYL-6,9-DIOXO-2-OXA-7,10- DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16- TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE | A,B | 1Z1H | 0.72 |