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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03206651

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DPL4-OXOPROLINEA,B,C1QFI0.7
MHLN-METHYL-4-HYDROXY-LEUCINEC1CWL0.73
MAAN-METHYLALANINEA,B1A7Z0.74
MAAN-METHYLALANINEA,B2VSL0.74
MAAN-METHYLALANINEC1CWI0.74
MAAN-METHYLALANINEC,F,G,H3DW80.74
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.74
MAAN-METHYLALANINED1D5X0.74
MAAN-METHYLALANINEC1PYW0.74
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.74
MAAN-METHYLALANINEC,I2IE30.74
MAAN-METHYLALANINEC,F,X,Y2NPP0.74
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C1EKX0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q950.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1TTH0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1ACM0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1D090.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1XJW0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA1ML40.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDB,D1I5O0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D1F1B0.77
PALN-(PHOSPHONACETYL)-L-ASPARTIC ACIDA,B,C,D8ATC0.77
DNP3-AMINO-ALANINEA1BEI0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B1O5K0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B3CPR0.71
MCLNZ-(1-CARBOXYETHYL)-LYSINEA,B2VC60.71
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.84
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.84
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.84
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.84
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.84
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.84
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.84
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.84
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.84
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.84
MVAN-METHYLVALINEA209D0.75
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.75
MVAN-METHYLVALINEC1CWH0.75
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
1UNJ0.75
MVAN-METHYLVALINEA1DSD0.75
MVAN-METHYLVALINEB1L1V0.75
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.75
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.75
MVAN-METHYLVALINEC1CWO0.75
MVAN-METHYLVALINEC1CWL0.75
MVAN-METHYLVALINEB1MIK0.75
MVAN-METHYLVALINEA1CSA0.75
MVAN-METHYLVALINEC1CWM0.75
MVAN-METHYLVALINEA1PFE0.75
MVAN-METHYLVALINEA,B,D,E,F,H1M630.75
MVAN-METHYLVALINEC1CWC0.75
MVAN-METHYLVALINEB,D,F,H2RMC0.75
MVAN-METHYLVALINEC1CWK0.75
MVAN-METHYLVALINEC1CYN0.75
MVAN-METHYLVALINEC,D1MNV0.75
MVAN-METHYLVALINEC,D2OJU0.75
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.75
MVAN-METHYLVALINEA1CYB0.75
MVAN-METHYLVALINED1QNG0.75
MVAN-METHYLVALINEA,C,E,G2ADW0.75
MVAN-METHYLVALINEC1CWB0.75
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.75
MVAN-METHYLVALINEA,B1OVF0.75
MVAN-METHYLVALINEA,B185D0.75
MVAN-METHYLVALINEA1XVK0.75
MVAN-METHYLVALINEA,C1XVR0.75
MVAN-METHYLVALINEA,B173D0.75
MVAN-METHYLVALINEA,B1FJA0.75
MVAN-METHYLVALINEB3CYS0.75
MVAN-METHYLVALINEA,B,C1A7Y0.75
MVAN-METHYLVALINEA,B,C1L5G0.75
MVAN-METHYLVALINEA,B,C,D1I3W0.75
MVAN-METHYLVALINEA316D0.75
MVAN-METHYLVALINEA1XVN0.75
MVAN-METHYLVALINEC1IKF0.75
MVAN-METHYLVALINEA,M,N2Z6W0.75
MVAN-METHYLVALINEA,B,C1QFI0.75
MVAN-METHYLVALINEA,B3GO30.75
MVAN-METHYLVALINEC1CWA0.75
MVAN-METHYLVALINEC1CWF0.75
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.75
MVAN-METHYLVALINED,E,F1XQ70.75
MVAN-METHYLVALINEA1CYA0.75
MVAN-METHYLVALINEA,B,D1MF80.75
MVAN-METHYLVALINEA,B1A7Z0.75
MVAN-METHYLVALINEA1DSC0.75
MVAN-METHYLVALINET,U,V2POY0.75
MVAN-METHYLVALINEA2D550.75
MVAN-METHYLVALINEC1BCK0.75
MVAN-METHYLVALINEC1CWI0.75
MVAN-METHYLVALINEC,D1QNH0.75
MVAN-METHYLVALINEA1VS20.75
DPPDIAMMINOPROPANOIC ACIDA,B1B5H0.71
VLL(2S)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.75
UN22-AMINO-4,4-DIHYDROXYBUTANOIC ACIDA,B,C,D1H0G0.7
DASD-ASPARTIC ACIDA1BFW0.79
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5D0.79
DASD-ASPARTIC ACIDA1KS70.79
DASD-ASPARTIC ACIDA1C4B0.79
DASD-ASPARTIC ACIDA,B,C,D3BOG0.79
DASD-ASPARTIC ACIDA,L1ZEA0.79
DASD-ASPARTIC ACIDA,B,C,D1HG10.79
DASD-ASPARTIC ACIDA,B,C,H,K,L2R5B0.79
DASD-ASPARTIC ACIDA,B2Q330.79
DASD-ASPARTIC ACIDE1AN10.79
CANCANALINEA,B,C2CAN0.73
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.72
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.72
AYAN-ACETYLALANINEA1D0W0.7
AYAN-ACETYLALANINEA1AH40.7
AYAN-ACETYLALANINEA,B1VBP0.7
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.7
AYAN-ACETYLALANINEA,B,C,D1OUW0.7
AYAN-ACETYLALANINEA1AH30.7
AYAN-ACETYLALANINEA1EKO0.7
AYAN-ACETYLALANINEB,D,F,H2V4I0.7
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.7
AYAN-ACETYLALANINEA,B,C,D1J4U0.7
BFDASPARTATE BERYLLIUM TRIFLUORIDEA2JCM0.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1J970.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2G070.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA1TA00.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B,C,D1RLO0.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B1ZDM0.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA3EF10.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEE,F,G,H2FTK0.76
BFDASPARTATE BERYLLIUM TRIFLUORIDEA,B2HEG0.76
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G650.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6A0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G680.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG70.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEA2G6C0.72
SN0N-(3-CARBOXYPROPANOYL)-L-NORVALINEC,D,E,X,Y,Z2FG60.72
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.72
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
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1GH00.73
MENN-METHYL ASPARAGINEA,B,C,D1XF60.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.73
MENN-METHYL ASPARAGINEA,B1I7Y0.73
MENN-METHYL ASPARAGINEA,B3BRP0.73
MENN-METHYL ASPARAGINEA,B1JBO0.73
MENN-METHYL ASPARAGINEA,B1ALL0.73
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1HA70.73
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.73
MENN-METHYL ASPARAGINEA,B1KTP0.73
MENN-METHYL ASPARAGINEA,B1PHN0.73
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.73
MENN-METHYL ASPARAGINEA,B,C,D1XG00.73
MENN-METHYL ASPARAGINEA,B2VJT0.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.73
MENN-METHYL ASPARAGINEA,B2V8A0.73
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.73
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA2OXK0.71
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA,B,C2OXJ0.71
B3S(3R)-3-AMINO-4-HYDROXYBUTANOIC ACIDA1J8N0.71
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
OHSO-(CARBOXYSULFANYL)-4-OXO-L-HOMOSERINEA,C1Y9A0.75
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1RTU0.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1AT60.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FTL0.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1DY50.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B2FTM0.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI40.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)E,I2FI50.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A1C9P0.79
IASBETA-ASPARTYL RESIDUE (GAMMA-LINKED)A,B1LSQ0.79
DMK3,3-DIMETHYL ASPARTIC ACIDE,F,G,H1NKK0.72
DMK3,3-DIMETHYL ASPARTIC ACIDA,B,C,D,E,F,
G,H
1NJT0.72
A0A(2S)-2-AMINO-4-(FORMYLOXY)-4-OXOBUTANOIC ACIDA,B2VJM0.73
AVG2-AMINO-4-(2-AMINO-ETHOXY)-BUTYRIC ACIDA1IAY0.7
SUON~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINEA,B,C,D1YNH0.7
IPGN-ISOPROPYL GLYCINEC,D2SEM0.72
6PR(S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACIDA,B,C,D2H3E0.74
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.75
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.75
ASIL-ISO-ASPARTATEA1EJC0.79
ASIL-ISO-ASPARTATEA,B1EJD0.79
ASIL-ISO-ASPARTATEA,B,C,D1YBG0.79
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H
1RYW0.79
ASIL-ISO-ASPARTATEA,B,C,D2Z2C0.79
ASIL-ISO-ASPARTATEA,B,C,D1JG30.79
ASIL-ISO-ASPARTATEA,B1DLG0.79
ASIL-ISO-ASPARTATEA,B,C,D2HSE0.79
ASIL-ISO-ASPARTATEA1EYN0.79
ASIL-ISO-ASPARTATEA2JV00.79
ASIL-ISO-ASPARTATEA,B,C,D,E,F,
G,H,I,J,K,L,
W,X,Y,Z
1Q3G0.79
AS9N-[HYDROXY(METHYL)PHOSPHORYL]-L-
ASPARTIC ACID
A,B2O4H0.7
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.7
AN0N-ACETYL-L-NORVALINEA1ZQ80.7
HSEL-HOMOSERINEA2VDJ0.71
HSEL-HOMOSERINEA,B,C,D1EBU0.71
HSEL-HOMOSERINEA,C1J9N0.71
HSEL-HOMOSERINEA1PQP0.71
HSEL-HOMOSERINEC1H720.71
HSEL-HOMOSERINEE,F3DKS0.71
PHDASPARTYL PHOSPHATEA3BA60.72
PHDASPARTYL PHOSPHATEA,B2FPW0.72
PHDASPARTYL PHOSPHATEA,B,C,D,W,X,
Y,Z
1QMP0.72
PHDASPARTYL PHOSPHATEA,B1ZY20.72
PHDASPARTYL PHOSPHATEA,B1K680.72
PHDASPARTYL PHOSPHATEA,B,C1D5W0.72
PHDASPARTYL PHOSPHATEA,B3CRN0.72
PHDASPARTYL PHOSPHATEA2A9R0.72
PHDASPARTYL PHOSPHATEA,B1LVH0.72
PHDASPARTYL PHOSPHATEA1NXT0.72
PHDASPARTYL PHOSPHATEA1DC80.72
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA,B,D,E,F3FDM0.71
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3HF00.71
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3C3H0.71
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.75
VDL(2R,3R)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.75