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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02240195

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.77
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.77
ACB3-METHYL-ASPARTIC ACIDA1EVD0.77
ACB3-METHYL-ASPARTIC ACIDA1EVB0.77
ACB3-METHYL-ASPARTIC ACIDA1EVA0.77
ACB3-METHYL-ASPARTIC ACIDA1LCM0.77
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.77
ACB3-METHYL-ASPARTIC ACIDA1AY30.77
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.77
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.77
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.77
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.77
ACB3-METHYL-ASPARTIC ACIDA1EVC0.77
0AAmethyl L-valinateI1HEF0.76
VDL(2R,3R)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.78
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.78
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.78
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.78
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.78
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.78
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.78
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.78
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.78
HSLHOMOSERINE LACTONEA1X5V0.81
HSLHOMOSERINE LACTONEA2BR60.81
HSLHOMOSERINE LACTONEA1Y4E0.81
HSLHOMOSERINE LACTONEA,B,C,D1H0M0.81
AS9N-[HYDROXY(METHYL)PHOSPHORYL]-L-
ASPARTIC ACID
A,B2O4H0.71
CANCANALINEA,B,C2CAN0.75
PHDASPARTYL PHOSPHATEA3BA60.71
PHDASPARTYL PHOSPHATEA,B2FPW0.71
PHDASPARTYL PHOSPHATEA,B,C,D,W,X,
Y,Z
1QMP0.71
PHDASPARTYL PHOSPHATEA,B1ZY20.71
PHDASPARTYL PHOSPHATEA,B1K680.71
PHDASPARTYL PHOSPHATEA,B,C1D5W0.71
PHDASPARTYL PHOSPHATEA,B3CRN0.71
PHDASPARTYL PHOSPHATEA2A9R0.71
PHDASPARTYL PHOSPHATEA,B1LVH0.71
PHDASPARTYL PHOSPHATEA1NXT0.71
PHDASPARTYL PHOSPHATEA1DC80.71
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.82
ASIL-ISO-ASPARTATEA1EJC0.78
ASIL-ISO-ASPARTATEA,B1EJD0.78
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.78
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.78
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.78
ASIL-ISO-ASPARTATEA,B,C,D1JG30.78
ASIL-ISO-ASPARTATEA,B1DLG0.78
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.78
ASIL-ISO-ASPARTATEA1EYN0.78
ASIL-ISO-ASPARTATEA2JV00.78
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.78
ASAASPARTIC ALDEHYDEE,F2QLF0.73
ASAASPARTIC ALDEHYDEC3H110.73
ASAASPARTIC ALDEHYDED,E,F2QL90.73
ASAASPARTIC ALDEHYDEC2H5I0.73
ASAASPARTIC ALDEHYDEE,F2H650.73
ASAASPARTIC ALDEHYDEA,B1IAU0.73
ASAASPARTIC ALDEHYDEA,E,F2QLJ0.73
ASAASPARTIC ALDEHYDEE,F2H5J0.73
ASAASPARTIC ALDEHYDED,E,F2QL50.73
ASAASPARTIC ALDEHYDED,E,F2QL70.73
ASAASPARTIC ALDEHYDEE,F3EDR0.73
ASAASPARTIC ALDEHYDEA,B,C1QTN0.73
ASAASPARTIC ALDEHYDED,E,F2QLB0.73
UN22-AMINO-4,4-DIHYDROXYBUTANOIC ACIDA,B,C,D1H0G0.75
AS2(2R)-2-AMINO-4-OXOBUTANOIC ACIDA,B,C,D2GZ30.73
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.76
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.76
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.76
VMEMETHYL L-VALINATEA,B,C2JE40.76
VMEMETHYL L-VALINATEA,B,C2J9J0.76
VMEMETHYL L-VALINATEA,B,C7HVP0.76
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)
A,B2HA20.71
SCK2,2'-[(1,4-DIOXOBUTANE-1,4-DIYL)BIS(OXY)]BIS(N,N,N-
TRIMETHYLETHANAMINIUM)
A,B2HA60.71
OXXOXALYL-ASPARTYL ANHYDRIDEA,B1T4C0.74
OHSO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINEA,C1Y9A0.73
AEITHREONINE-ASPARTIC ESTERA,B,C,D4ECA0.72
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.77
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.75
0AK(2S)-2-amino-4-(2-chloroethoxy)-
4-oxobutanoic acid
A2DHD0.78
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.78
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.77
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.77
DMK3,3-DIMETHYL ASPARTIC ACIDE,F,G,H1NKK0.74
DMK3,3-DIMETHYL ASPARTIC ACIDA,B,C,D,E,F,
G,H
1NJT0.74
ASLASPARTIC ACID-4-CARBOXYETHYL ESTERA,B2NO50.77
HSEL-HOMOSERINEA2VDJ0.76
HSEL-HOMOSERINEA,B,C,D1EBU0.76
HSEL-HOMOSERINEA,C1J9N0.76
HSEL-HOMOSERINEA1PQP0.76
HSEL-HOMOSERINEC1H720.76
HSEL-HOMOSERINEE,F3DKS0.76
TH5O-acetyl-L-threonineA,D,E,F,G,H2VZK0.74
OLTO-METHYL-L-THREONINEA,B,C2AOC0.7
OLTO-METHYL-L-THREONINEA,B,C2AOD0.7
DASD-ASPARTIC ACIDA1BFW0.78
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.78
DASD-ASPARTIC ACIDA1KS70.78
DASD-ASPARTIC ACIDA1C4B0.78
DASD-ASPARTIC ACIDA,B,C,D3BOG0.78
DASD-ASPARTIC ACIDA,L1ZEA0.78
DASD-ASPARTIC ACIDA,B,C,D1HG10.78
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.78
DASD-ASPARTIC ACIDA,B2Q330.78
DASD-ASPARTIC ACIDE1AN10.78
VLL(2S)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
OASO-ACETYLSERINEA,B,C,D,E,F,
G,H,I,J,K,L
2VAV0.73
OASO-ACETYLSERINEA2C580.73
OASO-ACETYLSERINEA1EBV0.73
OASO-ACETYLSERINEA,B,C,D,E,F,
G,H,I,J,K,L
2VAX0.73
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ60.78
ASBASPARTIC ACID-4-CARBOXYMETHYL ESTERA,B1QQ70.78