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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00005142

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.82
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.76
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.7
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEC,D,E1NU10.72
QNO2-NONYL-4-HYDROXYQUINOLINE N-OXIDEA,B,C,D,G2E750.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.71
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C1KQG0.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,D,E,F2VR00.72
HQO2-HEPTYL-4-HYDROXY QUINOLINE N-
OXIDE
A,B,C,M,N,O,P1KF60.72
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.73
PY7PYRIDIN-4-YLMETHANOLA2EUR0.76
QNDQUINALDIC ACIDA,B1IDA0.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.76
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.76
PYF3-PYRIDINYLCARBINOLA,B1R160.76