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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022309

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PIHIODOPHENYLA1UO50.81
PIHIODOPHENYLA3DNA0.81
PIHIODOPHENYLA1F9O0.81
PIHIODOPHENYLA,B1UO40.81
PIHIODOPHENYLA3DN40.81
PXYPARA-XYLENEA187L0.7
PXYPARA-XYLENEA225L0.7
PA0Phenylarsine oxideA3E3Z0.88
MBNTOLUENEA,B3D7O0.73
MBNTOLUENEA,B1R1X0.73
MBNTOLUENEA,B1JLX0.73
MBNTOLUENEA,B,C,D3D170.73
MBNTOLUENEA,B2VRL0.73
MBNTOLUENEA,I2Z3E0.73
MBNTOLUENEA,B1YZI0.73
MBNTOLUENEA,B2DN10.73
MBNTOLUENEA,B3EN10.73
FPRPROPYLBENZENEC1RHK0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.7
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.7
PBCPHENYL BORONIC ACIDA2A320.92
PBCPHENYL BORONIC ACIDA1JU30.92
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.79
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
BNZBENZENEA1L830.86
BNZBENZENEA1CP40.86
BNZBENZENEA,B,C,D1XXJ0.86
BNZBENZENEB1SWI0.86
BNZBENZENEA181L0.86
BNZBENZENEA223L0.86
BNZBENZENEA3DMX0.86
BNZBENZENEA2Z9G0.86
BNZBENZENEA220L0.86
BNZBENZENEA227L0.86
BNZBENZENEA,B1A7Z0.86
BNZBENZENEA1L840.86
P4PTETRAPHENYLPHOSPHONIUMA,M1EXJ0.7
P4PTETRAPHENYLPHOSPHONIUMA,C3B620.7
P4PTETRAPHENYLPHOSPHONIUMA,B1R8E0.7
P4PTETRAPHENYLPHOSPHONIUMA2BOW0.7
P4PTETRAPHENYLPHOSPHONIUMA3B5D0.7
F5B1,2,3,4,5-pentafluorobenzeneA3DN00.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.73
PYLPHENYLETHANEC1B070.7
PYLPHENYLETHANEA,B2VRM0.7
PYLPHENYLETHANEA1NHB0.7
PHGPHENYLMERCURYA1CZS0.86
BT6benzenethiolA,B,C,D3HSR0.75
N4BN-BUTYLBENZENEA186L0.7
BNSHYDROSULFONYLBENZENE11YYY0.75
BNSHYDROSULFONYLBENZENEA1MEM0.75
BNSHYDROSULFONYLBENZENEA,D,E1FH00.75
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.75