Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00560797
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 |
PRQ![]() | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.84 | ![]() |
KYN![]() | KYNURENINE | A,B,C,D | 2R2N | 0.71 | ![]() |
KYN![]() | KYNURENINE | A,B | 3E2Z | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 1XT7 | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 1T5M | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 1T5N | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 2VOV | 0.71 | ![]() |
KYN![]() | KYNURENINE | A | 2VOX | 0.71 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2ADP | 0.74 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 3DIV | 0.74 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 2H5U | 0.74 | ![]() |
NIY![]() | META-NITRO-TYROSINE | A | 1K4Q | 0.74 | ![]() |
NIY![]() | META-NITRO-TYROSINE | B,G,O,Y | 1SDA | 0.74 | ![]() |
A84![]() | 2-[({2-[(1Z)-3-(DIMETHYLAMINO)PROP- 1-ENYL]-4-FLUOROPHENYL}SULFONYL)AMINO]- 5,6,7,8-TETRAHYDRONAPHTHALENE-1- CARBOXYLIC ACID | A | 1YW9 | 0.71 | ![]() |
MNP![]() | 2-(3-NITROPHENYL)ACETIC ACID | B | 1AI5 | 0.76 | ![]() |
PNC![]() | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.7 | ![]() |
23N![]() | (2R)-2-benzyl-3-nitropropanoic acid | A | 2RFH | 0.7 | ![]() |
2UN![]() | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.73 | ![]() |
AHC![]() | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.74 | ![]() |
F77![]() | 3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}- 2-METHYLBENZOIC ACID | A | 2EA2 | 0.72 | ![]() |
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 | 0.73 | ![]() |
A75![]() | 2-[(PHENYLSULFONYL)AMINO]-5,6,7,8- TETRAHYDRONAPHTHALENE-1-CARBOXYLIC ACID | A | 1YW8 | 0.72 | ![]() |
INU![]() | N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO- 2-OXO-2H-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYLBENZENSULFONAMIDE | A | 7UPJ | 0.73 | ![]() |
DNS![]() | N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE | H | 1WZ1 | 0.75 | ![]() |
CXA![]() | PHENYLALANINE-N-SULFONAMIDE | A | 1IY7 | 0.72 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1O0D | 0.73 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FES | 0.73 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2ANK | 0.73 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FEQ | 0.73 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2A2X | 0.73 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1NZQ | 0.73 | ![]() |
53N![]() | 3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid | A | 3DN5 | 0.74 | ![]() |
A41![]() | 5-METHYL-2-[(PHENYLSULFONYL)AMINO]BENZOIC ACID | A | 1YW7 | 0.72 | ![]() |
TPY![]() | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E36 | 0.78 | ![]() |
TPY![]() | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E37 | 0.78 | ![]() |
TPY![]() | (2S,3S)-3-FORMYL-2-({[(4-NITROPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID | B | 1E38 | 0.78 | ![]() |
UNI![]() | 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10- HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN- 3-YL)METHYL)PHENYL BENZENSULFONAMIDE | B | 1HPO | 0.7 | ![]() |
059![]() | (2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(S)-HYDROXY[(1R)-2-METHYL-1- {[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID | A | 2PJ6 | 0.73 | ![]() |
4MB![]() | 4-[(METHYLSULFONYL)AMINO]BENZOIC ACID | A,B | 2HDS | 0.7 | ![]() |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.76 | ![]() |
ZAB![]() | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.76 | ![]() |
AAH![]() | H | 1KEL | 0.7 | ![]() | |
AAH![]() | B,H | 1FL6 | 0.7 | ![]() | |
I84![]() | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.72 | ![]() |
I84![]() | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAD | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D,E,F | 1GTI | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2OAC | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 1GLQ | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | B,D | 2QMC | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B | 2VO4 | 0.72 | ![]() |
GTB![]() | S-(P-NITROBENZYL)GLUTATHIONE | A,B,C,D | 1K0C | 0.72 | ![]() |
AAN![]() | 2-(4-NITROPHENYL)ACETIC ACID | B | 1AJN | 0.77 | ![]() |
UN6![]() | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.71 | ![]() |
EAB![]() | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.76 | ![]() |
PPN![]() | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.84 | ![]() |
TNS![]() | A,B,L | 2G2R | 0.74 | ![]() |