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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02220968

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PXYPARA-XYLENEA187L0.7
PXYPARA-XYLENEA225L0.7
TLD4-methylbenzene-1,2-dithiolA2Z940.73
SMLPHENYL METHYL SULFONEA,I1D6W0.77
SMLPHENYL METHYL SULFONEA,I1D9I0.77
FPRPROPYLBENZENEC1RHK0.7
BNSHYDROSULFONYLBENZENE11YYY0.8
BNSHYDROSULFONYLBENZENEA1MEM0.8
BNSHYDROSULFONYLBENZENEA,D,E1FH00.8
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.8
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.7
BT6benzenethiolA,B,C,D3HSR0.8
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.71
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.71
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.71
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.71
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.78
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.78
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.78
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.78
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.78
PBCPHENYL BORONIC ACIDA2A320.71
PBCPHENYL BORONIC ACIDA1JU30.71
BNZBENZENEA1L830.72
BNZBENZENEA1CP40.72
BNZBENZENEA,B,C,D1XXJ0.72
BNZBENZENEB1SWI0.72
BNZBENZENEA181L0.72
BNZBENZENEA223L0.72
BNZBENZENEA3DMX0.72
BNZBENZENEA2Z9G0.72
BNZBENZENEA220L0.72
BNZBENZENEA227L0.72
BNZBENZENEA,B1A7Z0.72
BNZBENZENEA1L840.72
TOSP-SULFINOTOLUENEH1ETT0.75
TOSP-SULFINOTOLUENEI4PAD0.75
TOSP-SULFINOTOLUENEA1EST0.75
TOSP-SULFINOTOLUENEC,G2CHA0.75
TOSP-SULFINOTOLUENEE1PPH0.75
FBS4-FLOUROBENZENESULFONAMIDEA1IF40.72
PHGPHENYLMERCURYA1CZS0.72
PVS(ethenylsulfonyl)benzeneA3BLU0.76
TSUPARA-TOLUENE SULFONATEA,B1WUW0.74
TSUPARA-TOLUENE SULFONATEA1B0D0.74
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.71
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.71
PYLPHENYLETHANEC1B070.7
PYLPHENYLETHANEA,B2VRM0.7
PYLPHENYLETHANEA1NHB0.7
PA0Phenylarsine oxideA3E3Z0.73
N4BN-BUTYLBENZENEA186L0.7