Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02259252
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 |
RCP![]() | (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN- 4-YLCARBONYL)-1,4'-BIPIPERIDINE | A,B,C | 1W2X | 0.74 | ![]() |
RCP![]() | (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN- 4-YLCARBONYL)-1,4'-BIPIPERIDINE | A,B,C,D | 3FF6 | 0.74 | ![]() |
OHH![]() | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN- 4-YL]AMINO}CARBONYL)-2-NAPHTHYL]- 1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID | A | 1T31 | 0.76 | ![]() |
OHH![]() | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN- 4-YL]AMINO}CARBONYL)-2-NAPHTHYL]- 1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID | A | 1T32 | 0.76 | ![]() |
MNO![]() | (3S)-N-METHANESULFONYL-3-({1-[N- (2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)- 4-OXOBUTANAMIDE | A | 1BMQ | 0.74 | ![]() |
53U![]() | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.72 | ![]() |
U1N![]() | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.73 | ![]() |
12B![]() | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 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 | 0.71 | ![]() |
FPB![]() | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.72 | ![]() |
998![]() | N-METHYLALANYL-3-METHYLVALYL-N- (1,2,3,4-TETRAHYDRONAPHTHALEN-1- YL)PROLINAMIDE | A | 1TFQ | 0.7 | ![]() |
BM5![]() | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.72 | ![]() |
PYQ![]() | PYROQUILON | A | 1JA9 | 0.73 | ![]() |
PYQ![]() | PYROQUILON | A,B,C,D | 1G0O | 0.73 | ![]() |
R01![]() | (4'-{[ALLYL(METHYL)AMINO]METHYL}- 1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE | A,B,C | 1H35 | 0.7 | ![]() |
ALR![]() | ALRESTATIN | A | 1AZ1 | 0.82 | ![]() |
37U![]() | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.71 | ![]() |
GK5![]() | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.73 | ![]() |
BPO![]() | 3-[(Z)-AMINO(IMINO)METHYL]-N-[2- (4-BENZOYL-1-PIPERIDINYL)-2-OXO- 1-PHENYLETHYL]BENZAMIDE | A | 1EB2 | 0.74 | ![]() |
NKK![]() | N~2~-(naphthalen-2-ylcarbonyl)- L-lysyl-N-[(1S)-4-carbamimidamido- 1-formylbutyl]-L-lysinamide | B,D | 3E90 | 0.72 | ![]() |
PZQ![]() | PRAZIQUANTEL | A | 1GTB | 0.75 | ![]() |
BM1![]() | (R)-(+)9B-(3-METHYL)PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 5(9BH)-ONE | A | 1C0T | 0.74 | ![]() |
51U![]() | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.73 | ![]() |
TTT![]() | 5-amino-2-methyl-N-[(1R)-1-naphthalen- 1-ylethyl]benzamide | A | 3E9S | 0.72 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.77 | ![]() |
I06![]() | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.76 | ![]() |
BCC![]() | 6-AMINO-6-BENZYL-5-OXO-OCTAHYDRO- INDOLIZINE-3-CARBALDEHYDE | H,I,R | 1B5G | 0.7 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 3GEY | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 3CE0 | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B | 1XK9 | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A | 2Q6M | 0.71 | ![]() |
P34![]() | N~2~,N~2~-DIMETHYL-N~1~-(6-OXO- 5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | A,B,C,D,E,F | 1ZM9 | 0.71 | ![]() |
DHQ![]() | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.76 | ![]() |
WH6![]() | 2-[(1R)-2-carboxy-1-(naphthalen- 1-ylmethyl)ethyl]-1,3-dioxo-2,3- dihydro-1H-isoindole-5-carboxylic acid | A,B | 2R9X | 0.75 | ![]() |
DK2![]() | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.71 | ![]() |
M38![]() | 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN- 6(11H)-YL)BUTANOATE | A,C | 1SC7 | 0.77 | ![]() |
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 | ![]() |
F20![]() | N-BENZOYL-L-PHENYLALANYL-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-L-PHENYLALANINAMIDE | A | 2CMA | 0.71 | ![]() |
23C![]() | 2-[(1R)-1-carboxy-2-naphthalen- 1-ylethyl]-1,3-dioxo-2,3-dihydro- 1H-isoindole-5-carboxylic acid | A,B | 2R9W | 0.76 | ![]() |
4AN![]() | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.73 | ![]() |
BFI![]() | 2[4-BROMO-2-FLUOROPHENYL)METHYL]- 6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'- PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | A | 1PWL | 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 | 0.73 | ![]() |
RXA![]() | isoquinoline-1,3,4(2H)-trione | A,B,C,D | 3DEH | 0.77 | ![]() |