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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03422612

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.7
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.7
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.7
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.78
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.78
FPRPROPYLBENZENEC1RHK0.72
MBNTOLUENEA,B3D7O0.71
MBNTOLUENEA,B1R1X0.71
MBNTOLUENEA,B1JLX0.71
MBNTOLUENEA,B,C,D3D170.71
MBNTOLUENEA,B2VRL0.71
MBNTOLUENEA,I2Z3E0.71
MBNTOLUENEA,B1YZI0.71
MBNTOLUENEA,B2DN10.71
MBNTOLUENEA,B3EN10.71
TOSP-SULFINOTOLUENEH1ETT0.74
TOSP-SULFINOTOLUENEI4PAD0.74
TOSP-SULFINOTOLUENEA1EST0.74
TOSP-SULFINOTOLUENEC,G2CHA0.74
TOSP-SULFINOTOLUENEE1PPH0.74
N4BN-BUTYLBENZENEA186L0.72
PYLPHENYLETHANEC1B070.72
PYLPHENYLETHANEA,B2VRM0.72
PYLPHENYLETHANEA1NHB0.72
TLD4-methylbenzene-1,2-dithiolA2Z940.79
TSUPARA-TOLUENE SULFONATEA,B1WUW0.73
TSUPARA-TOLUENE SULFONATEA1B0D0.73