Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00289360
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 |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.75 | |
998 | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.72 | |
31U | D-leucyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZNK | 0.72 | |
876 | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4- DIPHOSPHONOPHENYLALANINAMIDE | A | 1O4B | 0.71 | |
GIN | 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3- YL)METHYL]AMINO}-N-[4-PROPYL-3- (TRIFLUOROMETHYL)PHENYL]BENZAMIDE | A,B | 2HZ0 | 0.71 | |
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 | 0.71 | |
33U | beta-phenyl-D-phenylalanyl-N-(4- carbamimidoylbenzyl)-L-prolinamide | H,I | 2ZO3 | 0.77 | |
BPO | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2- (4-BENZOYL-1-PIPERIDINYL)-2-OXO- 1-PHENYLETHYL]BENZAMIDE | A | 1EB2 | 0.77 | |
NKK | N~2~-(naphthalen-2-ylcarbonyl)- L-lysyl-N-[(1S)-4-carbamimidamido- 1-formylbutyl]-L-lysinamide | B,D | 3E90 | 0.74 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.74 | |
XXZ | 1-[4-(AMINOMETHYL)BENZOYL]-5'-FLUORO- 1'H-SPIRO[PIPERIDINE-4,2'-QUINAZOLIN]- 4'-AMINE | A,B | 3E65 | 0.72 | |
F20 | N-BENZOYL-L-PHENYLALANYL-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-L-PHENYLALANINAMIDE | A | 2CMA | 0.73 | |
12U | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | A | 2ZHD | 0.7 | |
12U | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZHW | 0.7 | |
12U | N-cycloheptylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | A | 2ZFS | 0.7 | |
N9H | (5S)-5-(3-AMINOPROPYL)-3-(2,5-DIFLUOROPHENYL)- N-ETHYL-5-PHENYL-4,5-DIHYDRO-1H- PYRAZOLE-1-CARBOXAMIDE | A,B | 2G1Q | 0.7 | |
10U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentylamino)ethanoyl)pyrrolidine- 2-carboxamide | A | 2ZFT | 0.71 | |
10U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclopentylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIU | 0.71 | |
49U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDN | 0.72 | |
49U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclopentylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZHF | 0.72 | |
BFB | N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE | A | 2DW5 | 0.74 | |
TIN | A,B | 1N94 | 0.71 | ||
CRI | A,B | 1VKG | 0.7 | ||
27U | N-(4-carbamimidoylbenzyl)-1-(3- phenylpropanoyl)-L-prolinamide | H,I | 2ZHQ | 0.76 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.73 | |
KU8 | 4-[3-(1,4-diazepan-1-ylcarbonyl)- 4-fluorobenzyl]phthalazin-1(2H)- one | A | 3C49 | 0.91 | |
MEL | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}- 1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | H,I | 1K22 | 0.7 | |
MEL | [((1R)-2-{(2S)-2-[({4-[AMINO(IMINO)METHYL]BENZYL}AMINO)CARBONYL]AZETIDINYL}- 1-CYCLOHEXYL-2-OXOETHYL)AMINO]ACETIC ACID | A | 1K1P | 0.7 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.74 | |
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 | |
FRP | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.71 | |
FRM | 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO- 1(2H)-PYRIDINYL]PROPYL}-8-METHYL- 4(3H)-QUINAZOLINONE | A,B | 1UK0 | 0.71 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.73 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.72 | |
P34 | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.72 | |
675 | 6-[(Z)-AMINO(IMINO)METHYL]-N-PHENYL- 2-NAPHTHAMIDE | A | 1OWE | 0.7 | |
605 | 4'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl- 3-carboxamide | A,B | 3D4L | 0.71 | |
26U | N-(4-carbamimidoylbenzyl)-1-(4- methylpentanoyl)-L-prolinamide | H,I | 2ZIQ | 0.72 | |
RPR | A | 1F0U | 0.76 | ||
RPR | A | 1EZQ | 0.76 | ||
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.76 | |
G6A | N-cyclopropyl-2',6-dimethyl-4'- (5-methyl-1,3,4-oxadiazol-2-yl)biphenyl- 3-carboxamide | A | 3E92 | 0.73 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.79 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.74 | |
24U | 1-butanoyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZI2 | 0.72 | |
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 | 0.72 | |
GK4 | N-(cyclopropylmethyl)-2'-methyl- 5'-(5-methyl-1,3,4-oxadiazol-2- yl)biphenyl-4-carboxamide | A | 2ZB1 | 0.73 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.74 | |
32U | D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}- L-prolinamide | H,I | 2ZDA | 0.76 | |
11U | (S)-N-(4-carbamimidoylbenzyl)-1- (2-(cyclohexylamino)ethanoyl)pyrrolidine- 2-carboxamide | H,I | 3BIV | 0.73 | |
3BP | 2-(3-BIPHENYL-4-YL-2-ETHANESULFONYLAMINO- PROPIONYLAMINO)-PENTANEDIOIC ACID 5- AMIDE 1-(4-CARBAMIMIDOYL-BENZYLAMIDE) | H,L | 1WTG | 0.72 | |
303 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWK | 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 | 0.72 | |
I06 | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.76 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.75 | |
29U | 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZGX | 0.72 | |
13U | N-cyclooctylglycyl-N-(4-carbamimidoylbenzyl)- L-prolinamide | H,I | 2ZHE | 0.71 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.72 | |
SY1 | 2-({2-[(3R)-3-AMINOPIPERIDIN-1- YL]-4-OXOQUINAZOLIN-3(4H)-YL}METHYL)BENZONITRILE | A,B,C,D | 2ONC | 0.7 | |
155 | 6-[(Z)-AMINO(IMINO)METHYL]-N-(1- ISOPROPYL-3,4-DIHYDROISOQUINOLIN- 7-YL)-2-NAPHTHAMIDE | A | 1OWJ | 0.74 | |
50U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | A | 2ZDK | 0.74 | |
50U | (S)-N-(4-carbamimidoylbenzyl)-1- (3-cyclohexylpropanoyl)pyrrolidine- 2-carboxamide | H,I | 2ZG0 | 0.74 | |
TTT | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.73 | |
239 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[4- (AMINOMETHYL)PHENYL]-2-NAPHTHAMIDE | A | 1OWH | 0.73 | |
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 | 0.71 | |
MNO | (3S)-N-METHANESULFONYL-3-({1-[N- (2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)- 4-OXOBUTANAMIDE | A | 1BMQ | 0.71 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.72 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.72 | |
497 | 6-[AMINO(IMINO)METHYL]-N-[(4R)- 4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN- 6-YL]-2-NAPHTHAMIDE | A | 1OWD | 0.71 | |
A17 | N-cyclopropyl-4-methyl-3-[1-(2- methylphenyl)phthalazin-6-yl]benzamide | A,B,C,D | 3DS6 | 0.74 | |
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 | 0.73 |