Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00315177
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 | |
23C | 2-[(1R)-1-carboxy-2-naphthalen- 1-ylethyl]-1,3-dioxo-2,3-dihydro- 1H-isoindole-5-carboxylic acid | A,B | 2R9W | 0.74 | |
ALR | ALRESTATIN | A | 1AZ1 | 0.94 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.72 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 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 | 0.71 | |
NII | 2,7-bis[3-(dimethylamino)propyl]- 4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline- 1,3,6,8(2H,7H)-tetrone | A,B | 3CDM | 0.72 | |
NII | 2,7-bis[3-(dimethylamino)propyl]- 4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline- 1,3,6,8(2H,7H)-tetrone | A | 3CCO | 0.72 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.72 | |
201 | 3-AMIDO-5-BIPHENYL-BENZOIC ACID | A | 2B0M | 0.7 | |
TIN | A,B | 1N94 | 0.71 | ||
TPI | 4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO- METHYL)-NAPHTHALENE-2-CARBONYL]- AMINO}-BUTYRIC ACID | A | 1BZC | 0.73 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.71 | |
BC1 | 3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN- 9-YL)CARBONYL]AMINO}PROPANOIC ACID | H,Y | 1LO0 | 0.7 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.74 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.74 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.74 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.74 | |
WH6 | 2-[(1R)-2-carboxy-1-(naphthalen- 1-ylmethyl)ethyl]-1,3-dioxo-2,3- dihydro-1H-isoindole-5-carboxylic acid | A,B | 2R9X | 0.77 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.77 | |
PZQ | PRAZIQUANTEL | A | 1GTB | 0.71 | |
RXA | isoquinoline-1,3,4(2H)-trione | A,B,C,D | 3DEH | 0.74 | |
I06 | 2-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE- 1,4-DIONE | D,E,F,G,H,L, M,N,O,P | 1EEF | 0.76 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.71 | |
OHH | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN- 4-YL]AMINO}CARBONYL)-2-NAPHTHYL]- 1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID | A | 1T31 | 0.73 | |
OHH | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN- 4-YL]AMINO}CARBONYL)-2-NAPHTHYL]- 1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID | A | 1T32 | 0.73 | |
KAF | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.73 | |
P21 | 4-chloro-N-(3-methoxypropyl)-N- [(3S)-1-(2-phenylethyl)piperidin- 3-yl]benzamide | A | 2VD4 | 0.7 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.73 | |
853 | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.7 | |
M38 | 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN- 6(11H)-YL)BUTANOATE | A,C | 1SC7 | 0.77 | |
4AN | 6-AMINO-BENZO[DE]ISOQUINOLINE-1,3- DIONE | A | 2PAX | 0.75 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.79 | |
BFI | 2[4-BROMO-2-FLUOROPHENYL)METHYL]- 6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'- PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | A | 1PWL | 0.72 |