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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03206828

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPGN-ISOPROPYL GLYCINEC,D2SEM0.71
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.71
ASIL-ISO-ASPARTATEA1EJC0.75
ASIL-ISO-ASPARTATEA,B1EJD0.75
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.75
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.75
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.75
ASIL-ISO-ASPARTATEA,B,C,D1JG30.75
ASIL-ISO-ASPARTATEA,B1DLG0.75
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.75
ASIL-ISO-ASPARTATEA1EYN0.75
ASIL-ISO-ASPARTATEA2JV00.75
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.78
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.78
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.78
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.78
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.78
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.71
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.75
DASD-ASPARTIC ACIDA1BFW0.75
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.75
DASD-ASPARTIC ACIDA1KS70.75
DASD-ASPARTIC ACIDA1C4B0.75
DASD-ASPARTIC ACIDA,B,C,D3BOG0.75
DASD-ASPARTIC ACIDA,L1ZEA0.75
DASD-ASPARTIC ACIDA,B,C,D1HG10.75
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.75
DASD-ASPARTIC ACIDA,B2Q330.75
DASD-ASPARTIC ACIDE1AN10.75
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.76
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.76
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.71
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.71
ACB3-METHYL-ASPARTIC ACIDA1EVD0.71
ACB3-METHYL-ASPARTIC ACIDA1EVB0.71
ACB3-METHYL-ASPARTIC ACIDA1EVA0.71
ACB3-METHYL-ASPARTIC ACIDA1LCM0.71
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.71
ACB3-METHYL-ASPARTIC ACIDA1AY30.71
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.71
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.71
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.71
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.71
ACB3-METHYL-ASPARTIC ACIDA1EVC0.71
OHSO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINEA,C1Y9A0.7
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.71
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.72
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.72
MVAN-METHYLVALINEA209D0.71
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.71
MVAN-METHYLVALINEC1CWH0.71
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.71
MVAN-METHYLVALINEA1DSD0.71
MVAN-METHYLVALINEB1L1V0.71
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.71
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.71
MVAN-METHYLVALINEC1CWO0.71
MVAN-METHYLVALINEC1CWL0.71
MVAN-METHYLVALINEB1MIK0.71
MVAN-METHYLVALINEA1CSA0.71
MVAN-METHYLVALINEC1CWM0.71
MVAN-METHYLVALINEA1PFE0.71
MVAN-METHYLVALINEA,B,D,E,F,H1M630.71
MVAN-METHYLVALINEC1CWC0.71
MVAN-METHYLVALINEB,D,F,H2RMC0.71
MVAN-METHYLVALINEC1CWK0.71
MVAN-METHYLVALINEC1CYN0.71
MVAN-METHYLVALINEC,D1MNV0.71
MVAN-METHYLVALINEC,D2OJU0.71
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.71
MVAN-METHYLVALINEA1CYB0.71
MVAN-METHYLVALINED1QNG0.71
MVAN-METHYLVALINEA,C,E,G2ADW0.71
MVAN-METHYLVALINEC1CWB0.71
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.71
MVAN-METHYLVALINEA,B1OVF0.71
MVAN-METHYLVALINEA,B185D0.71
MVAN-METHYLVALINEA1XVK0.71
MVAN-METHYLVALINEA,C1XVR0.71
MVAN-METHYLVALINEA,B173D0.71
MVAN-METHYLVALINEA,B1FJA0.71
MVAN-METHYLVALINEB3CYS0.71
MVAN-METHYLVALINEA,B,C1A7Y0.71
MVAN-METHYLVALINEA,B,C1L5G0.71
MVAN-METHYLVALINEA,B,C,D1I3W0.71
MVAN-METHYLVALINEA316D0.71
MVAN-METHYLVALINEA1XVN0.71
MVAN-METHYLVALINEC1IKF0.71
MVAN-METHYLVALINEA,M,N2Z6W0.71
MVAN-METHYLVALINEA,B,C1QFI0.71
MVAN-METHYLVALINEA,B3GO30.71
MVAN-METHYLVALINEC1CWA0.71
MVAN-METHYLVALINEC1CWF0.71
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.71
MVAN-METHYLVALINED,E,F1XQ70.71
MVAN-METHYLVALINEA1CYA0.71
MVAN-METHYLVALINEA,B,D1MF80.71
MVAN-METHYLVALINEA,B1A7Z0.71
MVAN-METHYLVALINEA1DSC0.71
MVAN-METHYLVALINET,U,V2POY0.71
MVAN-METHYLVALINEA2D550.71
MVAN-METHYLVALINEC1BCK0.71
MVAN-METHYLVALINEC1CWI0.71
MVAN-METHYLVALINEC,D1QNH0.71
MVAN-METHYLVALINEA1VS20.71