Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02882381
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 |
N2T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.7 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.71 | ![]() |
PRA![]() | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.71 | ![]() |
V35![]() | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.77 | ![]() |
BNF![]() | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.73 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.71 | ![]() |
PBN![]() | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.71 | ![]() |
22U![]() | D-phenylalanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 2ZC9 | 0.72 | ![]() |
C2A![]() | 1-(3-CHLOROPHENYL)METHANAMINE | B,I | 2C8Z | 0.81 | ![]() |
B2Y![]() | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.75 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.73 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.73 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.73 | ![]() |
IDI![]() | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.75 | ![]() |
2BF![]() | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.74 | ![]() |
CBT![]() | N,N-BIS(4-CHLOROBENZYL)-1H-1,2,3,4- TETRAAZOL-5-AMINE | A | 1PZO | 0.72 | ![]() |
RM1![]() | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.74 | ![]() |
BAC![]() | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.71 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.73 | ![]() |
LY1![]() | 8,9-DICHLORO-2,3,4,5-TETRAHYDRO- 1H-BENZO[C]AZEPINE | A,B | 1N7I | 0.83 | ![]() |
4MD![]() | N-(4-chlorobenzyl)-N-methylbenzene- 1,4-disulfonamide | A,B | 3DA2 | 0.73 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTO | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.72 | ![]() |
PEA![]() | 2-PHENYLETHYLAMINE | A | 1UTM | 0.72 | ![]() |
CRP![]() | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A | 2STD | 0.73 | ![]() |
CRP![]() | ((1RS,3SR)-2,2-DICHLORO-N-[(R)- 1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL- 3-METHYLCYCLOPROPANECARBOXAMIDE | A,B,C | 7STD | 0.73 | ![]() |
64U![]() | 3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)- L-prolinamide | H,I | 3DUX | 0.71 | ![]() |
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 | ![]() |
C2B![]() | 1-(4-CHLOROPHENYL)METHANAMINE | D,H | 2Q7Q | 0.81 | ![]() |
4FP![]() | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.77 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.71 | ![]() |
TRJ![]() | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.71 | ![]() |
FBA![]() | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.76 | ![]() |
FBA![]() | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.76 | ![]() |
GVQ![]() | (2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE | A | 2UW8 | 0.82 | ![]() |
EOA![]() | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.71 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.73 | ![]() |
RAS![]() | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.73 | ![]() |
SKA![]() | 7,8-DICHLORO-1,2,3,4-TETRAHYDROISOQUINOLINE | A,B | 1YZ3 | 0.83 | ![]() |
V36![]() | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.77 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.71 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.71 | ![]() |
14W![]() | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.71 | ![]() |
FPA![]() | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.72 | ![]() |
1PC![]() | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.71 | ![]() |
ABN![]() | BENZYLAMINE | D,H | 2HXC | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A,I | 1A86 | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTN | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6X | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 2BZA | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 2EUS | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1N6Y | 0.72 | ![]() |
ABN![]() | BENZYLAMINE | A | 1UTJ | 0.72 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.78 | ![]() |
SRE![]() | (1S,4S)-4-(3,4-dichlorophenyl)- N-methyl-1,2,3,4-tetrahydronaphthalen- 1-amine | A | 3GWU | 0.78 | ![]() |