Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01407342
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 |
78A![]() | N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE | A | 2DCD | 0.76 | ![]() |
RL2![]() | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]- L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE | A | 1EWM | 0.71 | ![]() |
MEL![]() | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}- 1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | H,I | 1K22 | 0.73 | ![]() |
MEL![]() | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}- 1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | A | 1K1P | 0.73 | ![]() |
TI3![]() | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.7 | ![]() |
ENB![]() | ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT- BUTOXYCARBONYL)-L-VALYL]AMINO}- 2-PHENYLETHANOYL)AMINO]-5-[(3S)- 2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | A,B | 2D2D | 0.73 | ![]() |
U16![]() | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.72 | ![]() |
50U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDK | 0.71 | ![]() |
50U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZG0 | 0.71 | ![]() |
FRG![]() | 2-[3-METHYL-4-(N-METHYL-GUANIDINO)- BUTYRYLAMINO]-3-(4-PHENYLETHYNYL- PHENYL)-PROPIONIC ACID METHYL ESTER | A,B | 1M48 | 0.71 | ![]() |
UNH![]() | ({1-[1-CARBAMOYL-PHENYL-METHYL)- CARBAMOYL]-METHYL}-AMINOOXALYL)- BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)- CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER | A,C | 2A4G | 0.72 | ![]() |
5FH![]() | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.73 | ![]() |
998![]() | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.7 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.74 | ![]() |
45U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentyloxy)ethanoyl)pyrrolidine- 2-carboxamide | A | 2ZDL | 0.72 | ![]() |
45U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentyloxy)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZFQ | 0.72 | ![]() |
MY1![]() | [N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)- HYDRAZINO]-ACETIC ACID | I | 2CDR | 0.71 | ![]() |
PFX![]() | (2S)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)- 1-oxo-3-(4-phosphonophenyl)propan- 2-aminium | A | 2K9E | 0.71 | ![]() |
MY3![]() | [N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)- HYDRAZINO] - ACETIC ACID | A,I | 2CNL | 0.72 | ![]() |
C4P![]() | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]- N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | A | 1NQC | 0.72 | ![]() |
KEL![]() | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.71 | ![]() |
J54![]() | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.71 | ![]() |
37A![]() | (1S,5S,7R)-N~7~-(BIPHENYL-4-YLMETHYL)- N~3~-HYDROXY-6,8-DIOXA-3-AZABICYCLO[3.2.1]OCTANE- 3,7-DICARBOXAMIDE | A | 2HU6 | 0.74 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.73 | ![]() |
46U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexyloxy)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZFR | 0.73 | ![]() |
46U![]() | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexyloxy)ethanoyl)pyrrolidine- 2-carboxamide | A | 2ZDM | 0.73 | ![]() |
NPG![]() | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.7 | ![]() |
GAN![]() | 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)- 2,3,6,7-TETRAHYDRO-1H-AZEPIN-1- YL]-1-OXOPROPYL-VALINYL-VALINE- METHYLESTER | A | 1HBV | 0.7 | ![]() |
R99![]() | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]- D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE | A | 1EWL | 0.71 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.73 | ![]() |
TR1![]() | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.73 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.73 | ![]() |
ICX![]() | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.73 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOF | 0.71 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2HPT | 0.71 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1TXR | 0.71 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1XRY | 0.71 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2EK9 | 0.71 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1HS6 | 0.71 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2DQM | 0.71 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 3EBH | 0.71 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1GW6 | 0.71 | ![]() |
BES![]() | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOG | 0.71 | ![]() |
Y14![]() | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin- 3-yl]amino}-1-(cyclohexylmethyl)- 2-oxoethyl]morpholine-4-carboxamide | A,B | 2R9N | 0.79 | ![]() |
G23![]() | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.7 | ![]() |
U15![]() | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.72 | ![]() |
TZT![]() | SOBLIDOTIN | A,B,C,D | 3E22 | 0.71 | ![]() |
SEI![]() | 1-{3-METHYL-2-[4-(MORPHOLINE-4- CARBONYL)-BENZOYLAMINO]-BUTYRYL}- PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4- PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)- AMIDE | A | 1B0F | 0.71 | ![]() |
SEI![]() | 1-{3-METHYL-2-[4-(MORPHOLINE-4- CARBONYL)-BENZOYLAMINO]-BUTYRYL}- PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4- PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)- AMIDE | A | 1B0E | 0.71 | ![]() |
44U![]() | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.72 | ![]() |
MIN![]() | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.71 | ![]() |
64U![]() | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 3DUX | 0.7 | ![]() |
M1N![]() | (1R)-3-METHYL-1-{[N-(MORPHOLIN- 4-YLCARBONYL)-3-(1-NAPHTHYL)-D- ALANYL]AMINO}BUTYLBORONIC ACID | 2,C,E,G,H,J, L,N,P,R,T,V, X,Z | 2FHH | 0.74 | ![]() |
77B![]() | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DCC | 0.73 | ![]() |