Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00568232
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 |
CXA | PHENYLALANINE-N-SULFONAMIDE | A | 1IY7 | 0.73 | |
BDL | N-(biphenyl-4-ylsulfonyl)-D-leucine | A | 3EHX | 0.81 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.71 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.7 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.7 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.7 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.7 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1O0D | 0.74 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FES | 0.74 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2ANK | 0.74 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FEQ | 0.74 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2A2X | 0.74 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1NZQ | 0.74 | |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1BZS | 0.7 | |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1I76 | 0.7 | |
235 | (2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-[(R)-HYDROXY{(1R)-2-METHYL-1- [(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID | A,B,C | 2PJ7 | 0.78 | |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.74 | |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.74 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.73 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.73 | |
528 | (2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(R)-HYDROXY[(1R)-2-METHYL-1- {[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID | A,B,C | 2PIY | 0.74 | |
17A | (2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]- 2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID | A,B,C | 2PJ8 | 0.76 | |
059 | (2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(S)-HYDROXY[(1R)-2-METHYL-1- {[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID | A | 2PJ6 | 0.74 | |
BEY | (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid | A | 3EBI | 0.73 | |
2BL | (3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]- L-aspartic acid | A | 1BTU | 0.72 | |
NHL | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | A | 2OHV | 0.72 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.7 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.7 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.7 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.7 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.7 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.7 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.7 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.7 | |
4BF | 4-BROMO-L-PHENYLALANINE | A | 2AG6 | 0.77 | |
TPX | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | A | 1QGF | 0.75 | |
TPX | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E34 | 0.75 | |
TPX | (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E35 | 0.75 |