Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02376820
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 |
SEB | O-BENZYLSULFONYL-SERINE | A,B,C,D | 2APJ | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1IAV | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A,B | 1IEC | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1ZIY | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1C9N | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1ZJ4 | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1GGV | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1Q5P | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1PQA | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1ZJ5 | 0.72 | |
SEB | O-BENZYLSULFONYL-SERINE | A | 1C9M | 0.72 | |
FBS | 4-FLOUROBENZENESULFONAMIDE | A | 1IF4 | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.74 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.74 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.74 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.74 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.74 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.74 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.74 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.74 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.81 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.81 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.81 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.81 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.74 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.77 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.74 | |
BBS | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.74 | |
IBZ | 2-IODOBENZYLTHIO GROUP | A,B | 1CEL | 0.73 | |
PMS | BENZYLSULFINIC ACID | B | 1PNM | 0.82 | |
PMS | BENZYLSULFINIC ACID | A,B | 1SH7 | 0.82 | |
PMS | BENZYLSULFINIC ACID | B,C | 1BB0 | 0.82 | |
PMS | BENZYLSULFINIC ACID | A,B | 1S2N | 0.82 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WB8 | 0.82 | |
PMS | BENZYLSULFINIC ACID | A,B,C | 3CE4 | 0.82 | |
PMS | BENZYLSULFINIC ACID | A,B | 1Y9Z | 0.82 | |
PMS | BENZYLSULFINIC ACID | A | 3H18 | 0.82 | |
PMS | BENZYLSULFINIC ACID | A | 3H17 | 0.82 | |
PMS | BENZYLSULFINIC ACID | A | 2CBG | 0.82 | |
PMS | BENZYLSULFINIC ACID | A | 1SUP | 0.82 | |
PMS | BENZYLSULFINIC ACID | A,B | 1V6C | 0.82 | |
PMS | BENZYLSULFINIC ACID | A,B | 1WPR | 0.82 | |
PMS | BENZYLSULFINIC ACID | A,B | 1EQ9 | 0.82 | |
PMS | BENZYLSULFINIC ACID | A,B | 1AUR | 0.82 | |
PMS | BENZYLSULFINIC ACID | A | 1KLT | 0.82 | |
PMS | BENZYLSULFINIC ACID | B,C | 1CA8 | 0.82 | |
PMS | BENZYLSULFINIC ACID | A | 2GKO | 0.82 | |
PMS | BENZYLSULFINIC ACID | B,C,D | 1BA8 | 0.82 | |
HS4 | N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide | A | 3F17 | 0.71 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.74 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.74 | |
MBN | TOLUENE | A,B | 3D7O | 0.73 | |
MBN | TOLUENE | A,B | 1R1X | 0.73 | |
MBN | TOLUENE | A,B | 1JLX | 0.73 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.73 | |
MBN | TOLUENE | A,B | 2VRL | 0.73 | |
MBN | TOLUENE | A,I | 2Z3E | 0.73 | |
MBN | TOLUENE | A,B | 1YZI | 0.73 | |
MBN | TOLUENE | A,B | 2DN1 | 0.73 | |
MBN | TOLUENE | A,B | 3EN1 | 0.73 | |
TOS | P-SULFINOTOLUENE | H | 1ETT | 0.76 | |
TOS | P-SULFINOTOLUENE | I | 4PAD | 0.76 | |
TOS | P-SULFINOTOLUENE | A | 1EST | 0.76 | |
TOS | P-SULFINOTOLUENE | C,G | 2CHA | 0.76 | |
TOS | P-SULFINOTOLUENE | E | 1PPH | 0.76 | |
BHY | N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide | A,B | 3BBR | 0.76 | |
SEH | S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE | M | 1W9D | 0.7 | |
PVS | (ethenylsulfonyl)benzene | A | 3BLU | 0.72 | |
BPS | A,B | 2DE4 | 0.71 | ||
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.72 | |
OXE | ORTHO-XYLENE | A | 188L | 0.72 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.78 | |
PXY | PARA-XYLENE | A | 187L | 0.74 | |
PXY | PARA-XYLENE | A | 225L | 0.74 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.73 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.73 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A,I | 1GVV | 0.71 | |
TRJ | META-DI(AMINOMETHYL)BENZENE | A | 1FQ5 | 0.71 | |
3BT | 2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1Y | 0.7 | |
SML | PHENYL METHYL SULFONE | A,I | 1D6W | 0.71 | |
SML | PHENYL METHYL SULFONE | A,I | 1D9I | 0.71 | |
TSU | PARA-TOLUENE SULFONATE | A,B | 1WUW | 0.77 | |
TSU | PARA-TOLUENE SULFONATE | A | 1B0D | 0.77 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.74 | |
4BT | 2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA | A,B | 1D1X | 0.7 | |
FBT | 2,6-DIFLUOROBENZENESULFONAMIDE | A | 1IF5 | 0.71 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.72 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.72 | |
PYL | PHENYLETHANE | C | 1B07 | 0.74 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.74 | |
PYL | PHENYLETHANE | A | 1NHB | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.76 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.76 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.77 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.77 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.77 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.77 | |
BNS | HYDROSULFONYLBENZENE | 1 | 1YYY | 0.7 | |
BNS | HYDROSULFONYLBENZENE | A | 1MEM | 0.7 | |
BNS | HYDROSULFONYLBENZENE | A,D,E | 1FH0 | 0.7 | |
BNS | HYDROSULFONYLBENZENE | A,B,C,D | 1PQ9 | 0.7 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.74 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.74 | |
PRA | 3-PHENYLPROPYLAMINE | A | 1TNK | 0.75 | |
PRA | 3-PHENYLPROPYLAMINE | M | 1UTL | 0.75 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1TNI | 0.75 | |
PBN | 4-PHENYLBUTYLAMINE | A | 1UTP | 0.75 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.74 | |
MAJ | indane-5-sulfonamide | A | 2QOA | 0.76 | |
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 | 0.7 | |
B70 | tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate | A | 2ZCS | 0.71 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.81 | |
B69 | A | 2ZCR | 0.72 | ||
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D73 | 0.78 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3D77 | 0.78 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D78 | 0.78 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3CZ1 | 0.78 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3D75 | 0.78 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3D76 | 0.78 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A | 3BJH | 0.78 | |
NBB | N-BUTYL-BENZENESULFONAMIDE | A,B | 3D74 | 0.78 |