Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01301200
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 |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.77 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.73 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.7 | |
DFM | N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]- L-PHENYLALANINAMIDE | A | 2CMC | 0.74 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.73 | |
876 | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-3,4- DIPHOSPHONOPHENYLALANINAMIDE | A | 1O4B | 0.71 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.72 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.72 | |
U1N | 4-[(3R)-3-{[2-(4-FLUOROPHENYL)- 2-OXOETHYL]AMINO}BUTYL]BENZAMIDE | A,B | 2OGZ | 0.73 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.7 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.73 | |
PMI | (2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID | A,B,C,D,E,F, G,H | 2O7E | 0.71 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.76 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.7 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.7 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.7 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.71 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.73 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.73 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.79 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.79 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.79 | |
822 | N-ACETYL-N-[1-(1,1'-BIPHENYL-4- YLMETHYL)-2-OXOAZEPAN-3-YL]-4-[DIFLUORO(PHOSPHONO)METHYL]PHENYLALANINAMIDE | A | 1O47 | 0.72 | |
S27 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT- 4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID | A,B | 1B3D | 0.73 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.74 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.75 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.75 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.75 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.75 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.75 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.73 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.73 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.73 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.73 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.72 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.7 | |
CPU | A,B | 1CR6 | 0.72 | ||
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.78 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.78 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.78 | |
N2T | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.76 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.73 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.73 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.9 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.71 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.71 | |
DPK | DEPRENYL | A,B | 2BYB | 0.74 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.71 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.75 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.71 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.71 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.73 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.72 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.7 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.77 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.7 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.72 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.72 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.73 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.73 | |
N4T | (1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5- DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO- 1H-PYRROL-1-YL]-2-OXOETHANAMINE | A,B | 2FL2 | 0.72 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.71 |