Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00610973
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 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.75 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.71 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 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 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.72 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.72 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.72 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.72 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.7 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.75 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.84 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.72 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.71 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.72 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.72 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.83 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.83 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.74 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.72 | |
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 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.8 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.79 | |
0A9 | methyl L-phenylalaninate | A | 1AY2 | 0.7 | |
0A9 | methyl L-phenylalaninate | I | 5ER1 | 0.7 | |
0A9 | methyl L-phenylalaninate | I,P | 1HDT | 0.7 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.71 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.71 | |
ABN | BENZYLAMINE | A | 1UTN | 0.71 | |
ABN | BENZYLAMINE | A | 1N6X | 0.71 | |
ABN | BENZYLAMINE | A | 2BZA | 0.71 | |
ABN | BENZYLAMINE | A | 2EUS | 0.71 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.71 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.71 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.81 | |
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 | |
UNH | ({1-[1-CARBAMOYL-PHENYL-METHYL)- CARBAMOYL]-METHYL}-AMINOOXALYL)- BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)- CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER | A,C | 2A4G | 0.74 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.75 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.73 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.72 | |
CT1 | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.72 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.73 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.73 | |
CPU | A,B | 1CR6 | 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 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.73 | |
RRT | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.71 | |
SBD | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 3VSB | 0.72 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.75 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.73 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.73 | |
CT2 | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUZ | 0.72 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.73 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.73 | |
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 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.75 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.75 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.73 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.73 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.72 | |
GK5 | N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)- 6-methylbiphenyl-3,4'-dicarboxamide | A | 3D7Z | 0.71 | |
ZYZ | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.72 | |
SBL | L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 1AV7 | 0.72 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.76 | |
37U | D-phenylalanyl-N-(3-fluorobenzyl)- L-prolinamide | H,I | 2ZDV | 0.72 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.7 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.72 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.87 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.87 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.87 | |
DPK | DEPRENYL | A,B | 2BYB | 0.72 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.72 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.8 | |
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.71 |