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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00600883

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
PXYPARA-XYLENEA187L0.78
PXYPARA-XYLENEA225L0.78
MBNTOLUENEA,B3D7O0.78
MBNTOLUENEA,B1R1X0.78
MBNTOLUENEA,B1JLX0.78
MBNTOLUENEA,B,C,D3D170.78
MBNTOLUENEA,B2VRL0.78
MBNTOLUENEA,I2Z3E0.78
MBNTOLUENEA,B1YZI0.78
MBNTOLUENEA,B2DN10.78
MBNTOLUENEA,B3EN10.78
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.7
BNSHYDROSULFONYLBENZENE11YYY0.71
BNSHYDROSULFONYLBENZENEA1MEM0.71
BNSHYDROSULFONYLBENZENEA,D,E1FH00.71
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.71
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
PIHIODOPHENYLA1UO50.8
PIHIODOPHENYLA3DNA0.8
PIHIODOPHENYLA1F9O0.8
PIHIODOPHENYLA,B1UO40.8
PIHIODOPHENYLA3DN40.8
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
FPRPROPYLBENZENEC1RHK0.78
PA0Phenylarsine oxideA3E3Z0.83
I4BISOBUTYLBENZENEA184L0.75
F5B1,2,3,4,5-pentafluorobenzeneA3DN00.71
TTATETRAPHENYL-ARSONIUMA1HYV0.73
PHGPHENYLMERCURYA1CZS0.84
P4PTETRAPHENYLPHOSPHONIUMA,M1EXJ0.77
P4PTETRAPHENYLPHOSPHONIUMA,C3B620.77
P4PTETRAPHENYLPHOSPHONIUMA,B1R8E0.77
P4PTETRAPHENYLPHOSPHONIUMA2BOW0.77
P4PTETRAPHENYLPHOSPHONIUMA3B5D0.77
BT6benzenethiolA,B,C,D3HSR0.77
118TETRAPHENYLANTIMONIUM IONA1EXI0.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.7
PBCPHENYL BORONIC ACIDA2A320.8
PBCPHENYL BORONIC ACIDA1JU30.8
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
N4BN-BUTYLBENZENEA186L0.78
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.73
BNZBENZENEA1L830.84
BNZBENZENEA1CP40.84
BNZBENZENEA,B,C,D1XXJ0.84
BNZBENZENEB1SWI0.84
BNZBENZENEA181L0.84
BNZBENZENEA223L0.84
BNZBENZENEA3DMX0.84
BNZBENZENEA2Z9G0.84
BNZBENZENEA220L0.84
BNZBENZENEA227L0.84
BNZBENZENEA,B1A7Z0.84
BNZBENZENEA1L840.84