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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00323276

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.73
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.73
CDT4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACIDA,B1UF50.75
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.81
NXAN-CARBOXYALANINEA2IUX0.72
NXAN-CARBOXYALANINEA1O8A0.72
DSEN-METHYL-D-SERINEC1CWH0.78
DTHD-THREONINEA1KRO0.76
DTHD-THREONINEA,B,C,D3BOG0.76
DTHD-THREONINEA,B173D0.76
DTHD-THREONINEA209D0.76
DTHD-THREONINEA316D0.76
DTHD-THREONINEA,B2Q330.76
DTHD-THREONINEA2JUE0.76
DTHD-THREONINEA2D550.76
ZZU(2S,3S)-HYDROXYARGININEA2WBQ0.7
ZZU(2S,3S)-HYDROXYARGININEA2WBP0.7
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
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.71
AN0N-ACETYL-L-NORVALINEA1ZQ80.71
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H
2Q0S0.71
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.73
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
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.71
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.75
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.72
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.8
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.82
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.82
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.82
SACN-ACETYL-SERINEA1R4U0.82
SACN-ACETYL-SERINEA,B,C,D1WS30.82
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.82
SACN-ACETYL-SERINEA,B1EVU0.82
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.82
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.82
SACN-ACETYL-SERINEA1WRR0.82
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.82
SACN-ACETYL-SERINEA,B3CVQ0.82
SACN-ACETYL-SERINEA1B0B0.82
SACN-ACETYL-SERINEA1XT40.82
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.82
SACN-ACETYL-SERINEA2FXL0.82
SACN-ACETYL-SERINEA1R4S0.82
SACN-ACETYL-SERINEA,B,C,D1WS20.82
SACN-ACETYL-SERINEA,B,C,D2AUC0.82
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.82
SACN-ACETYL-SERINEA1R510.82
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.82
SACN-ACETYL-SERINEA,B,C,D1XXJ0.82
SACN-ACETYL-SERINET2QAC0.82
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.82
CIRCITRULLINEA,B,C,D1J210.7
CIRCITRULLINEB1KOD0.7
CIRCITRULLINEA,B,C3B3I0.7
CIRCITRULLINEC3DTX0.7
CIRCITRULLINEA2C6Z0.7
CIRCITRULLINEA,C,E,F2W650.7
CIRCITRULLINEA,B2JAI0.7
CIRCITRULLINEP3FT20.7
CIRCITRULLINEA,B,C,D1J1Z0.7
CIRCITRULLINEA,B1LXY0.7
CIRCITRULLINEF,H1OL10.7
CIRCITRULLINEA1KP30.7
CIRCITRULLINEA2NZ20.7
CIRCITRULLINEA1H700.7
CIRCITRULLINEA1K970.7
CIRCITRULLINEC3B6S0.7
TH5O-acetyl-L-threonineA,D,E,F,G,H2VZK0.73
OLTO-METHYL-L-THREONINEA,B,C2AOC0.72
OLTO-METHYL-L-THREONINEA,B,C2AOD0.72
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.9
THCN-METHYLCARBONYLTHREONINEB2HR00.9
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.9
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.9
ALOALLO-THREONINEI,P1HDT0.76
ALOALLO-THREONINEA2JUU0.76
ALOALLO-THREONINEA2VMX0.76
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.72
HY33-HYDROXYPROLINEA,B,G2G660.7