Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03691673
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 |
L18 | (2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine | A | 2JJG | 0.83 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.74 | |
1PC | 1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE | B,C | 2PCP | 0.85 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.8 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.8 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.77 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.77 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.71 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.71 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.71 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.86 | |
DP4 | TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE- N-OXIDE | A,B,C,D,E,F, G,H | 1ND0 | 0.71 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.91 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.77 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.77 | |
2BF | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.74 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.72 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.74 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.74 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.79 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.79 | |
CPU | A,B | 1CR6 | 0.7 | ||
IDI | 7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE | A,B | 1N7J | 0.77 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.87 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.87 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A | 2AI7 | 0.73 | |
SB7 | [HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL | A,B,C | 2AI8 | 0.73 | |
267 | 1-(azidomethyl)-3-methylbenzene | A | 2RBQ | 0.8 | |
PYL | PHENYLETHANE | C | 1B07 | 0.71 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.71 | |
PYL | PHENYLETHANE | A | 1NHB | 0.71 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.77 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.71 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.77 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.73 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.73 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.72 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.76 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.76 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.73 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.74 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.79 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.79 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.79 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.79 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.79 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.71 | |
263 | 1-(azidomethyl)-3-methylbenzene | X | 2RB2 | 0.8 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.71 | |
MBH | 1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION | A | 1BMA | 0.76 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.85 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.79 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.74 | |
N5T | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.76 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.75 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.75 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.82 | |
IDM | INDOLINE | A,B | 3CEP | 0.7 | |
IDM | INDOLINE | A | 1AEK | 0.7 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.75 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.75 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.78 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.78 | |
ABN | BENZYLAMINE | A | 1UTN | 0.78 | |
ABN | BENZYLAMINE | A | 1N6X | 0.78 | |
ABN | BENZYLAMINE | A | 2BZA | 0.78 | |
ABN | BENZYLAMINE | A | 2EUS | 0.78 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.78 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.78 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.81 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.81 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.81 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.76 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.76 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.8 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.8 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.8 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.8 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.73 | |
DPK | DEPRENYL | A,B | 2BYB | 0.91 |