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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03644024

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.7
3MP3-METHYLPYRIDINEA1EUB0.75
3MP3-METHYLPYRIDINEA1BM60.75
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
PYF3-PYRIDINYLCARBINOLA,B1R160.72
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.78
PY7PYRIDIN-4-YLMETHANOLA2EUR0.73
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2GYV0.76
HBP1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIMEA,B2JF00.76
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.9
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.9
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.9
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.83
2862-ethenyl-1-methylpyridiniumX2RC20.76
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YV50.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B1RQJ0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YQ70.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A1YHL0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A2QIS0.72
RIS1-HYDROXY-2-(3-PYRIDINYL)ETHYLIDENE BIS-
PHOSPHONIC ACID
A,B2O1O0.72
NTNISONICOTINAMIDINEA7ADH0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.76
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.76
SB9HYDROXY[3-(6-METHYLPYRIDIN-2-YL)PROPYL]FORMAMIDEP2AIE0.72
D4GA,B,C,D2FDY0.76
PYS2-PYRIDINETHIOLA,B1CTE0.77
PYS2-PYRIDINETHIOLA2IPP0.77
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.7
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.8