Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00842762
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 |
24U | 1-butanoyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZI2 | 0.79 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.71 | |
BI6 | (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)- 6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}- 5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2- A]AZOCINE-3-CARBOXAMIDE | A | 2JK7 | 0.76 | |
78A | N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE | A | 2DCD | 0.71 | |
19U | 1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZFP | 0.79 | |
3CC | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro- 1H-inden-2-yl]-2-propylpentanamide | A | 2QO8 | 0.71 | |
TFK | 3-[[(METHYLAMINO)SULFONYL]AMINO]- 2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO- 1-(1-METHYLETHYL)-2-OXOPHENYL]- 1(2H)-PYRIDINE ACETAMIDE | A | 1EAS | 0.73 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.75 | |
16U | N-(3-chlorobenzyl)-1-(4-methylpentanoyl)- L-prolinamide | H,I | 3DT0 | 0.8 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.77 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.77 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.71 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.71 | |
50U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDK | 0.76 | |
50U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZG0 | 0.76 | |
DI3 | AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO- GLYCINE-OH | H | 1LHE | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.7 | |
5FH | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.75 | |
UNH | ({1-[1-CARBAMOYL-PHENYL-METHYL)- CARBAMOYL]-METHYL}-AMINOOXALYL)- BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)- CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER | A,C | 2A4G | 0.72 | |
BFB | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.7 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.72 | |
HIN | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.71 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.8 | |
DP7 | AC-(D)PHE-PRO-BOROARG-OH | H | 1LHC | 0.73 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.7 | |
176 | 1-(2-AMINO-3,3-DIPHENYL-PROPIONYL)- PYRROLIDINE-3-CARBOXYLIC ACID 2,5- DICHLORO-BENZYLAMIDE | A,B | 1TA2 | 0.72 | |
FA4 | SM-25453 | A,B | 2D1O | 0.71 | |
FA4 | SM-25453 | A,B | 2D1N | 0.71 | |
419 | N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl- 3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol- 6-yl]-2,2-diphenylacetamide | A,B | 3F7H | 0.73 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.81 | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.71 | |
BCC | 6-AMINO-6-BENZYL-5-OXO-OCTAHYDRO- INDOLIZINE-3-CARBALDEHYDE | H,I,R | 1B5G | 0.71 | |
49U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDN | 0.77 | |
49U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZHF | 0.77 | |
Y14 | N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin- 3-yl]amino}-1-(cyclohexylmethyl)- 2-oxoethyl]morpholine-4-carboxamide | A,B | 2R9N | 0.72 | |
29U | 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZGX | 0.79 | |
27U | N-(4-carbamimidoylbenzyl)-1-(3- phenylpropanoyl)-L-prolinamide | H,I | 2ZHQ | 0.76 | |
GB7 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)- 1-methylpyrrolidin-2-one | A | 3DDG | 0.7 | |
F1J | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.77 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.73 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.78 | |
TZT | SOBLIDOTIN | A,B,C,D | 3E22 | 0.7 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.83 | |
S27 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT- 4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID | A,B | 1B3D | 0.73 | |
KR2 | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN- 1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN- 2-AMINE | A,B | 2OLE | 0.75 | |
F1K | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.77 | |
MX3 | (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID | I | 2C2O | 0.73 | |
784 | [AMINO (4-{(3AS,4R,8AS,8BR)-1,3- DIOXO-2- [3-(TRIMETHYLAMMONIO) PROPYL]DECAHYDROPYRROLO[3,4- A] PYRROLIZIN-4-YL}PHENYL) METHYLENE]AMMONIUM | A | 2BOK | 0.72 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.7 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.73 | |
26U | N-(4-carbamimidoylbenzyl)-1-(4- methylpentanoyl)-L-prolinamide | H,I | 2ZIQ | 0.8 | |
CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A | 2STD | 0.73 | |
CRP | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A,B,C | 7STD | 0.73 | |
23U | beta-phenyl-D-phenylalanyl-N-(3- chlorobenzyl)-L-prolinamide | H,I | 3DHK | 0.74 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.81 | |
TTX | TENTOXIN | B | 1KMH | 0.76 | |
13U | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZHE | 0.77 | |
CPU | A,B | 1CR6 | 0.72 | ||
33U | beta-phenyl-D-phenylalanyl-N-(4- carbamimidoylbenzyl)-L-prolinamide | H,I | 2ZO3 | 0.73 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.81 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.78 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.71 | |
FR1 | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3- TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN- 1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID | N | 1MMJ | 0.71 | |
T16 | BOROLOG2 | H | 1A3E | 0.72 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.75 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.76 | |
998 | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.79 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.81 | |
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 | 0.72 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.73 | |
12U | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | A | 2ZHD | 0.81 | |
12U | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZHW | 0.81 | |
12U | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | A | 2ZFS | 0.81 | |
468 | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.76 | |
SMK | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(2-aminoethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B | 3EYL | 0.78 | |
872 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-(2,2,2-TRIFLUOROETHYL)-1,4-DIAZEPAN- 2-ONE | A,B | 2IIT | 0.76 | |
32U | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}- L-prolinamide | H,I | 2ZDA | 0.76 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.71 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.79 | |
22U | D-phenylalanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZC9 | 0.76 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.73 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.73 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.73 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.73 | |
PZQ | PRAZIQUANTEL | A | 1GTB | 0.71 | |
X23 | (3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}- 7-(aminomethyl)-N-(diphenylmethyl)- 5-oxooctahydro-1H-pyrrolo[1,2-a]azepine- 3-carboxamide | A,B,C,D,E,F, G,H,I,J | 3CM2 | 0.8 | |
BAV | (3S,14R,16S)-16-[(1R)-1-hydroxy- 2-{[3-(1-methylethyl)benzyl]amino}ethyl]- 3,4,14-trimethyl-1,4-diazacyclohexadecane- 2,5-dione | A,B,C | 3DV5 | 0.72 | |
N4T | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.78 | |
10U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentylamino)ethanoyl)pyrrolidine- 2-carboxamide | A | 2ZFT | 0.78 | |
10U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIU | 0.78 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.83 | |
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 | 0.71 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.7 | |
641 | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7M | 0.72 | |
744 | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.76 | |
665 | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.74 | |
3BC | A,C | 2FM2 | 0.71 | ||
BIC | 3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | H,I | 1A5G | 0.71 | |
BIC | 3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | H,I | 1A46 | 0.71 | |
BIC | 3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | H,I | 1A61 | 0.71 | |
21U | D-leucyl-N-(3-chlorobenzyl)-L-prolinamide | H,I | 2ZGB | 0.8 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.7 | |
F25 | 4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL- 2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4- A]PYRROLIZIN-4-YL]BENZAMIDINE | H | 2CN0 | 0.73 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.78 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.79 | |
GB6 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin- 2-one | A | 3DDF | 0.7 | |
LPF | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.75 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.73 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.73 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.72 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.72 | |
008 | (S)-2-[(R)-3-AMINO-4-(2-FLUORO- PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO- ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | A,B,C,D | 2BUC | 0.75 | |
31U | D-leucyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZNK | 0.8 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.7 | |
565 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE | A,B | 2IIV | 0.77 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.77 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.8 | |
64U | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 3DUX | 0.78 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.76 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.76 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.76 | |
5NH | A,C | 2F9U | 0.72 | ||
SAB | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.7 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.72 | |
11U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIV | 0.78 | |
PPB | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)- PYRROLIDINE-2-CARBONYL]-AMINO}- 2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID | A | 1AUJ | 0.73 |