Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02266683
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 |
3BT | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.76 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.74 | |
4BT | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.76 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.75 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.78 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.78 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.74 | |
OXE | ORTHO-XYLENE | A | 188L | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.78 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.78 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.78 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.78 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.7 | |
FBA | 4-FLUOROBENZYLAMINE | B,D,E | 1AFQ | 0.72 | |
FBA | 4-FLUOROBENZYLAMINE | A | 1TNH | 0.72 | |
C1A | 1,4-BIS-{[N-(1-IMINO-1GUANIDINO- METHYL)]SULFANYLMETHYL}-3,6-DIMETHYL- BENZENE | A | 2ANQ | 0.72 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.75 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.75 | |
MFG | (1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE | A,B | 2VZ2 | 0.72 | |
BHY | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.76 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.72 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.83 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.83 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.83 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.83 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.72 | |
ABN | BENZYLAMINE | D,H | 2HXC | 0.75 | |
ABN | BENZYLAMINE | A,I | 1A86 | 0.75 | |
ABN | BENZYLAMINE | A | 1UTN | 0.75 | |
ABN | BENZYLAMINE | A | 1N6X | 0.75 | |
ABN | BENZYLAMINE | A | 2BZA | 0.75 | |
ABN | BENZYLAMINE | A | 2EUS | 0.75 | |
ABN | BENZYLAMINE | A | 1N6Y | 0.75 | |
ABN | BENZYLAMINE | A | 1UTJ | 0.75 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.82 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.82 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.82 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.82 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.82 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.82 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.82 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.82 | |
007 | 1-METHYLAMINE-1-BENZYL-CYCLOPENTANE | A,B,C,D | 2BUA | 0.78 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.71 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | A | 1OS0 | 0.72 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | E,I | 4TMN | 0.72 | |
PPH | [(1R)-1-amino-2-phenylethyl]phosphonic acid | S | 1CGH | 0.72 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.78 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.78 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.77 | |
BZZ | BENZYLHYDRAZINE | A,B | 2E2V | 0.71 | |
1PB | 1,4-DIPHENYL-2-BUTENE | A,B | 1OJ9 | 0.7 | |
B2Y | 1-biphenyl-2-ylmethanamine | A,B,C,D | 3CCB | 0.76 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.7 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.7 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.72 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.73 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.73 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.73 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.73 | |
DEN | INDENE | A | 183L | 0.71 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.71 | |
PYL | PHENYLETHANE | C | 1B07 | 0.72 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.72 | |
PYL | PHENYLETHANE | A | 1NHB | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.75 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.75 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.75 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.75 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.8 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.8 |