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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03691520

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.75
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.75
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.75
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.75
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.75
2MMN,N-dimethyl-L-methionineA,B,C,E,F,G,
I,J,K,M,N,O
3CJT0.74
2MMN,N-dimethyl-L-methionineA,B,D,E,G,H3CJQ0.74
0A02-methyl-L-aspartic acidA1ART0.71
MVAN-METHYLVALINEA209D0.72
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.72
MVAN-METHYLVALINEC1CWH0.72
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
1UNJ0.72
MVAN-METHYLVALINEA1DSD0.72
MVAN-METHYLVALINEB1L1V0.72
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.72
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.72
MVAN-METHYLVALINEC1CWO0.72
MVAN-METHYLVALINEC1CWL0.72
MVAN-METHYLVALINEB1MIK0.72
MVAN-METHYLVALINEA1CSA0.72
MVAN-METHYLVALINEC1CWM0.72
MVAN-METHYLVALINEA1PFE0.72
MVAN-METHYLVALINEA,B,D,E,F,H1M630.72
MVAN-METHYLVALINEC1CWC0.72
MVAN-METHYLVALINEB,D,F,H2RMC0.72
MVAN-METHYLVALINEC1CWK0.72
MVAN-METHYLVALINEC1CYN0.72
MVAN-METHYLVALINEC,D1MNV0.72
MVAN-METHYLVALINEC,D2OJU0.72
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.72
MVAN-METHYLVALINEA1CYB0.72
MVAN-METHYLVALINED1QNG0.72
MVAN-METHYLVALINEA,C,E,G2ADW0.72
MVAN-METHYLVALINEC1CWB0.72
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.72
MVAN-METHYLVALINEA,B1OVF0.72
MVAN-METHYLVALINEA,B185D0.72
MVAN-METHYLVALINEA1XVK0.72
MVAN-METHYLVALINEA,C1XVR0.72
MVAN-METHYLVALINEA,B173D0.72
MVAN-METHYLVALINEA,B1FJA0.72
MVAN-METHYLVALINEB3CYS0.72
MVAN-METHYLVALINEA,B,C1A7Y0.72
MVAN-METHYLVALINEA,B,C1L5G0.72
MVAN-METHYLVALINEA,B,C,D1I3W0.72
MVAN-METHYLVALINEA316D0.72
MVAN-METHYLVALINEA1XVN0.72
MVAN-METHYLVALINEC1IKF0.72
MVAN-METHYLVALINEA,M,N2Z6W0.72
MVAN-METHYLVALINEA,B,C1QFI0.72
MVAN-METHYLVALINEA,B3GO30.72
MVAN-METHYLVALINEC1CWA0.72
MVAN-METHYLVALINEC1CWF0.72
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.72
MVAN-METHYLVALINED,E,F1XQ70.72
MVAN-METHYLVALINEA1CYA0.72
MVAN-METHYLVALINEA,B,D1MF80.72
MVAN-METHYLVALINEA,B1A7Z0.72
MVAN-METHYLVALINEA1DSC0.72
MVAN-METHYLVALINET,U,V2POY0.72
MVAN-METHYLVALINEA2D550.72
MVAN-METHYLVALINEC1BCK0.72
MVAN-METHYLVALINEC1CWI0.72
MVAN-METHYLVALINEC,D1QNH0.72
MVAN-METHYLVALINEA1VS20.72
OHSO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINEA,C1Y9A0.71
LALN,N-DIMETHYL-L-ALANINEA,B1R1G0.8
DASD-ASPARTIC ACIDA1BFW0.76
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.76
DASD-ASPARTIC ACIDA1KS70.76
DASD-ASPARTIC ACIDA1C4B0.76
DASD-ASPARTIC ACIDA,B,C,D3BOG0.76
DASD-ASPARTIC ACIDA,L1ZEA0.76
DASD-ASPARTIC ACIDA,B,C,D1HG10.76
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.76
DASD-ASPARTIC ACIDA,B2Q330.76
DASD-ASPARTIC ACIDE1AN10.76
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.75
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.75
ACB3-METHYL-ASPARTIC ACIDA1EVD0.75
ACB3-METHYL-ASPARTIC ACIDA1EVB0.75
ACB3-METHYL-ASPARTIC ACIDA1EVA0.75
ACB3-METHYL-ASPARTIC ACIDA1LCM0.75
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.75
ACB3-METHYL-ASPARTIC ACIDA1AY30.75
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.75
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.75
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.75
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.75
ACB3-METHYL-ASPARTIC ACIDA1EVC0.75
MAAN-METHYLALANINEA,B1A7Z0.7
MAAN-METHYLALANINEA,B2VSL0.7
MAAN-METHYLALANINEC1CWI0.7
MAAN-METHYLALANINEC,F,G,H3DW80.7
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.7
MAAN-METHYLALANINED1D5X0.7
MAAN-METHYLALANINEC1PYW0.7
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.7
MAAN-METHYLALANINEC,I2IE30.7
MAAN-METHYLALANINEC,F,X,Y2NPP0.7
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NKK0.7
DMHN4,N4-DIMETHYL-ASPARAGINEA,B,C,D,E,F,
G,H
1NJT0.7
DMHN4,N4-DIMETHYL-ASPARAGINEE,F,G,H1NJU0.7
DMHN4,N4-DIMETHYL-ASPARAGINEY,Z1JQ70.7
DMHN4,N4-DIMETHYL-ASPARAGINEC1NKM0.7
4MM(1S)-1-carboxy-N,N,N-trimethyl-
3-(methylsulfanyl)propan-1-aminium
A,B3EGV0.71
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.76
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.76
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.76
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.76
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.76
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.76
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.76
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.76
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.76
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.75
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.75
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.73
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.73
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.73
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.73
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.73
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.73
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.73
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.73
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.73
ASIL-ISO-ASPARTATEA1EJC0.76
ASIL-ISO-ASPARTATEA,B1EJD0.76
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.76
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.76
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.76
ASIL-ISO-ASPARTATEA,B,C,D1JG30.76
ASIL-ISO-ASPARTATEA,B1DLG0.76
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.76
ASIL-ISO-ASPARTATEA1EYN0.76
ASIL-ISO-ASPARTATEA2JV00.76
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.76
DMK3,3-DIMETHYL ASPARTIC ACIDE,F,G,H1NKK0.75
DMK3,3-DIMETHYL ASPARTIC ACIDA,B,C,D,E,F,
G,H
1NJT0.75
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.75