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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02543670

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PBCPHENYL BORONIC ACIDA2A320.7
PBCPHENYL BORONIC ACIDA1JU30.7
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.75
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.75
PIHIODOPHENYLA1UO50.79
PIHIODOPHENYLA3DNA0.79
PIHIODOPHENYLA1F9O0.79
PIHIODOPHENYLA,B1UO40.79
PIHIODOPHENYLA3DN40.79
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.72
BT6benzenethiolA,B,C,D3HSR0.83
TLD4-methylbenzene-1,2-dithiolA2Z940.7
SMLPHENYL METHYL SULFONEA,I1D6W0.85
SMLPHENYL METHYL SULFONEA,I1D9I0.85
BNSHYDROSULFONYLBENZENE11YYY0.77
BNSHYDROSULFONYLBENZENEA1MEM0.77
BNSHYDROSULFONYLBENZENEA,D,E1FH00.77
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.77
PHGPHENYLMERCURYA1CZS0.74
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)benzeneA3BLU0.81
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