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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00420745

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OCBOCTANOYLCARNITINEA,B1XL80.8
LP3(7S)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-
10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-
1-AMINIUM 4-OXIDE		A,B2AG40.73
LP3(7S)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-
10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-
1-AMINIUM 4-OXIDE		A,B,C2AG20.73
6ULTETRACOSYL PALMITATEA,B2H260.71
CNSHEXADECYL OCTANOATEA,B1U9O0.73
CNSHEXADECYL OCTANOATEA1U9N0.73
SCUN,N,N-TRIMETHYL-2-[(4-OXOBUTANOYL)OXY]ETHANAMINIUMA,B2HA20.72
HGP(1-HEXADECANOYL-2-TETRADECANOYL-
GLYCEROL-3-YL) PHOSPHONYL CHOLINE		A,B1S9A0.74
LPC[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINEA,B1BWO0.73
PCF1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINEA2AZQ0.75
PCF1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINEA,C,D,E1KB90.75
PLDDIUNDECYL PHOSPHATIDYL CHOLINEA,B1LSH0.74
LIO[1-PENTADECANOYL-2-DECANOYL-GLYCEROL-
3-YL]PHOSPHONYL CHOLINE		A,B1DLQ0.74
LIO[1-PENTADECANOYL-2-DECANOYL-GLYCEROL-
3-YL]PHOSPHONYL CHOLINE		A,B1DLM0.74
LIO[1-PENTADECANOYL-2-DECANOYL-GLYCEROL-
3-YL]PHOSPHONYL CHOLINE		A,B1DMH0.74
LIO[1-PENTADECANOYL-2-DECANOYL-GLYCEROL-
3-YL]PHOSPHONYL CHOLINE		A,B1DLT0.74
PC67-[(DODECANOYLOXY)METHYL]-4-HYDROXY-
N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-
4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-
OXIDE		A,B1ZHN0.75
LAP[2-((1-OXODODECANOXY-(2-HYDROXY-
3-PROPANYL))-PHOSPHONATE-OXY)-ETHYL]-
TRIMETHYLAMMONIUM		A1MID0.73
PC7(7S)-4-HYDROXY-N,N,N-TRIMETHYL-
9-OXO-7-[(PALMITOYLOXY)METHYL]-
3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-
1-AMINIUM 4-OXIDE		H,L,M2HG90.74
PC7(7S)-4-HYDROXY-N,N,N-TRIMETHYL-
9-OXO-7-[(PALMITOYLOXY)METHYL]-
3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-
1-AMINIUM 4-OXIDE		H,L,M2HH10.74
PX41,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINEA,B3DDL0.74
HC5(R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-
TRIMETHYLPROPAN-1-AMINIUM		A,B2H3W0.74
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)		A,B2HA20.74
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)		A,B2HA60.74
HGX1-HEPTADECANOYL-2-TRIDECANOYL-3-
GLYCEROL-PHOSPHONYL CHOLINE		A,B1TMX0.74
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEA,C,D,E1P840.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEA1BP10.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEA1EWF0.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEL,M1M3X0.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEH,L,M2J8C0.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEA2ZBD0.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEA,B,C3B8E0.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEA,B,C,D,E3EAM0.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEP,X,Y,Z1QLE0.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEA1OKC0.75
PC11,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINEA,B2Z730.75
QEH(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-
10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-
1-AMINIUM 4-OXIDE		A2RKN0.73
PLCDIUNDECYL PHOSPHATIDYL CHOLINEA,C,D,E,N,P,
Q,R		3H1I0.74
PLCDIUNDECYL PHOSPHATIDYL CHOLINEA,B,C1EIN0.74
PLCDIUNDECYL PHOSPHATIDYL CHOLINEB1LPA0.74
PLCDIUNDECYL PHOSPHATIDYL CHOLINEA,C,D,E,G,N,
P,Q,R,S		3H1J0.74
6PL(4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-
9-OXO-7-[(PALMITOYLOXY)METHYL]-
3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-
1-AMINIUM 4-OXIDE		A,B3B7Q0.74
6PL(4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-
9-OXO-7-[(PALMITOYLOXY)METHYL]-
3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-
1-AMINIUM 4-OXIDE		A,B2H260.74
6PL(4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-
9-OXO-7-[(PALMITOYLOXY)METHYL]-
3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-
1-AMINIUM 4-OXIDE		A3B7Z0.74
T80METHYLPENTA(OXYETHYL) HEPTADECANOATEA,B1LBT0.72
NONMETHYL NONANOATE (ESTER)A1QQS0.71
NONMETHYL NONANOATE (ESTER)H1CLZ0.71
NONMETHYL NONANOATE (ESTER)H1CLY0.71
MC31,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINEA2B6O0.75
MC31,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINEX3EMN0.75