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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03324093

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ASIL-ISO-ASPARTATEA1EJC0.73
ASIL-ISO-ASPARTATEA,B1EJD0.73
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.73
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.73
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.73
ASIL-ISO-ASPARTATEA,B,C,D1JG30.73
ASIL-ISO-ASPARTATEA,B1DLG0.73
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.73
ASIL-ISO-ASPARTATEA1EYN0.73
ASIL-ISO-ASPARTATEA2JV00.73
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.73
ACB3-METHYL-ASPARTIC ACIDC,F,G,H3DW80.7
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYL0.7
ACB3-METHYL-ASPARTIC ACIDA1EVD0.7
ACB3-METHYL-ASPARTIC ACIDA1EVB0.7
ACB3-METHYL-ASPARTIC ACIDA1EVA0.7
ACB3-METHYL-ASPARTIC ACIDA1LCM0.7
ACB3-METHYL-ASPARTIC ACIDA,B,C,D,E,F,
G,H
2NYM0.7
ACB3-METHYL-ASPARTIC ACIDA1AY30.7
ACB3-METHYL-ASPARTIC ACIDA,B,M,N1FJM0.7
ACB3-METHYL-ASPARTIC ACIDC,I2IE30.7
ACB3-METHYL-ASPARTIC ACIDC,F,X,Y2NPP0.7
ACB3-METHYL-ASPARTIC ACIDC,F,M,N2IAE0.7
ACB3-METHYL-ASPARTIC ACIDA1EVC0.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2E680.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B1XGE0.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z290.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z260.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z270.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z280.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z2A0.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z240.7
DOR(4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-
4-CARBOXYLIC ACID
A,B2Z250.7
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.72
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.7
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.73
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.73
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.71
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.71
MVAN-METHYLVALINEA209D0.7
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.7
MVAN-METHYLVALINEC1CWH0.7
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
1UNJ0.7
MVAN-METHYLVALINEA1DSD0.7
MVAN-METHYLVALINEB1L1V0.7
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.7
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.7
MVAN-METHYLVALINEC1CWO0.7
MVAN-METHYLVALINEC1CWL0.7
MVAN-METHYLVALINEB1MIK0.7
MVAN-METHYLVALINEA1CSA0.7
MVAN-METHYLVALINEC1CWM0.7
MVAN-METHYLVALINEA1PFE0.7
MVAN-METHYLVALINEA,B,D,E,F,H1M630.7
MVAN-METHYLVALINEC1CWC0.7
MVAN-METHYLVALINEB,D,F,H2RMC0.7
MVAN-METHYLVALINEC1CWK0.7
MVAN-METHYLVALINEC1CYN0.7
MVAN-METHYLVALINEC,D1MNV0.7
MVAN-METHYLVALINEC,D2OJU0.7
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.7
MVAN-METHYLVALINEA1CYB0.7
MVAN-METHYLVALINED1QNG0.7
MVAN-METHYLVALINEA,C,E,G2ADW0.7
MVAN-METHYLVALINEC1CWB0.7
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.7
MVAN-METHYLVALINEA,B1OVF0.7
MVAN-METHYLVALINEA,B185D0.7
MVAN-METHYLVALINEA1XVK0.7
MVAN-METHYLVALINEA,C1XVR0.7
MVAN-METHYLVALINEA,B173D0.7
MVAN-METHYLVALINEA,B1FJA0.7
MVAN-METHYLVALINEB3CYS0.7
MVAN-METHYLVALINEA,B,C1A7Y0.7
MVAN-METHYLVALINEA,B,C1L5G0.7
MVAN-METHYLVALINEA,B,C,D1I3W0.7
MVAN-METHYLVALINEA316D0.7
MVAN-METHYLVALINEA1XVN0.7
MVAN-METHYLVALINEC1IKF0.7
MVAN-METHYLVALINEA,M,N2Z6W0.7
MVAN-METHYLVALINEA,B,C1QFI0.7
MVAN-METHYLVALINEA,B3GO30.7
MVAN-METHYLVALINEC1CWA0.7
MVAN-METHYLVALINEC1CWF0.7
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.7
MVAN-METHYLVALINED,E,F1XQ70.7
MVAN-METHYLVALINEA1CYA0.7
MVAN-METHYLVALINEA,B,D1MF80.7
MVAN-METHYLVALINEA,B1A7Z0.7
MVAN-METHYLVALINEA1DSC0.7
MVAN-METHYLVALINET,U,V2POY0.7
MVAN-METHYLVALINEA2D550.7
MVAN-METHYLVALINEC1BCK0.7
MVAN-METHYLVALINEC1CWI0.7
MVAN-METHYLVALINEC,D1QNH0.7
MVAN-METHYLVALINEA1VS20.7
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.7
AS1ARGININOSUCCINATEA,B,C,D1TJW0.71
AS1ARGININOSUCCINATED1DCN0.71
AS1ARGININOSUCCINATEA,B,C,D1K7W0.71
AS1ARGININOSUCCINATEA,B,C,D1J200.71
DASD-ASPARTIC ACIDA1BFW0.73
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.73
DASD-ASPARTIC ACIDA1KS70.73
DASD-ASPARTIC ACIDA1C4B0.73
DASD-ASPARTIC ACIDA,B,C,D3BOG0.73
DASD-ASPARTIC ACIDA,L1ZEA0.73
DASD-ASPARTIC ACIDA,B,C,D1HG10.73
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.73
DASD-ASPARTIC ACIDA,B2Q330.73
DASD-ASPARTIC ACIDE1AN10.73
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.73
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.88
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.88
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.88
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.88
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.88
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.7
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.7
OHSO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINEA,C1Y9A0.72