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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00452010

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TLD4-methylbenzene-1,2-dithiolA2Z940.75
PBCPHENYL BORONIC ACIDA2A320.7
PBCPHENYL BORONIC ACIDA1JU30.7
I4BISOBUTYLBENZENEA184L0.7
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
BT6benzenethiolA,B,C,D3HSR0.83
OXEORTHO-XYLENEA,B3E0X0.7
OXEORTHO-XYLENEA188L0.7
SMLPHENYL METHYL SULFONEA,I1D6W0.85
SMLPHENYL METHYL SULFONEA,I1D9I0.85
FPRPROPYLBENZENEC1RHK0.72
BNSHYDROSULFONYLBENZENE11YYY0.77
BNSHYDROSULFONYLBENZENEA1MEM0.77
BNSHYDROSULFONYLBENZENEA,D,E1FH00.77
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.77
PHGPHENYLMERCURYA1CZS0.74
PIHIODOPHENYLA1UO50.7
PIHIODOPHENYLA3DNA0.7
PIHIODOPHENYLA1F9O0.7
PIHIODOPHENYLA,B1UO40.7
PIHIODOPHENYLA3DN40.7
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.8
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.72
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.72
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.72
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.72
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.72
PVS(ethenylsulfonyl)benzeneA3BLU0.83
N4BN-BUTYLBENZENEA186L0.72
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
TOSP-SULFINOTOLUENEH1ETT0.7
TOSP-SULFINOTOLUENEI4PAD0.7
TOSP-SULFINOTOLUENEA1EST0.7
TOSP-SULFINOTOLUENEC,G2CHA0.7
TOSP-SULFINOTOLUENEE1PPH0.7
PA0Phenylarsine oxideA3E3Z0.73
BNZBENZENEA1L830.74
BNZBENZENEA1CP40.74
BNZBENZENEA,B,C,D1XXJ0.74
BNZBENZENEB1SWI0.74
BNZBENZENEA181L0.74
BNZBENZENEA223L0.74
BNZBENZENEA3DMX0.74
BNZBENZENEA2Z9G0.74
BNZBENZENEA220L0.74
BNZBENZENEA227L0.74
BNZBENZENEA,B1A7Z0.74
BNZBENZENEA1L840.74