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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02258966

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DSEN-METHYL-D-SERINEC1CWH0.77
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.71
MENN-METHYL ASPARAGINEA,B,K,L1B8D0.72
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
1GH00.72
MENN-METHYL ASPARAGINEA,B,C,D1XF60.72
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
H,I,J,K,L,M
1B330.72
MENN-METHYL ASPARAGINEA,B1I7Y0.72
MENN-METHYL ASPARAGINEA,B3BRP0.72
MENN-METHYL ASPARAGINEA,B1JBO0.72
MENN-METHYL ASPARAGINEA,B1ALL0.72
MENN-METHYL ASPARAGINEA,B,K,L1EYX0.72
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
1HA70.72
MENN-METHYL ASPARAGINEA,B,C,D2VJH0.72
MENN-METHYL ASPARAGINEA,B1KTP0.72
MENN-METHYL ASPARAGINEA,B1PHN0.72
MENN-METHYL ASPARAGINEA,B,C,D1QGW0.72
MENN-METHYL ASPARAGINEA,B,C,D1XG00.72
MENN-METHYL ASPARAGINEA,B2VJT0.72
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.72
MENN-METHYL ASPARAGINEA,B2V8A0.72
MENN-METHYL ASPARAGINEA,B,C,D,E,F,
G,H
3DBJ0.72
TH5O-acetyl-L-threonineA,D,E,F,G,H2VZK0.71
AYAN-ACETYLALANINEA1D0W0.75
AYAN-ACETYLALANINEA1AH40.75
AYAN-ACETYLALANINEA,B1VBP0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.75
AYAN-ACETYLALANINEA,B,C,D1OUW0.75
AYAN-ACETYLALANINEA1AH30.75
AYAN-ACETYLALANINEA1EKO0.75
AYAN-ACETYLALANINEB,D,F,H2V4I0.75
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.75
AYAN-ACETYLALANINEA,B,C,D1J4U0.75
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.74
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.74
NXAN-CARBOXYALANINEA2IUX0.7
NXAN-CARBOXYALANINEA1O8A0.7
PT3N-PROPYL-TARTRAMIC ACIDA,B,C,D2HPA0.76
ALOALLO-THREONINEI,P1HDT0.75
ALOALLO-THREONINEA2JUU0.75
ALOALLO-THREONINEA2VMX0.75
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.95
THCN-METHYLCARBONYLTHREONINEB2HR00.95
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.95
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.95
OPIPANTOTHENYL-AMINOETHANOL-11-PIVALIC ACIDA,B,C,D2VU10.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.71
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.71
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.71
OLTO-METHYL-L-THREONINEA,B,C2AOC0.71
OLTO-METHYL-L-THREONINEA,B,C2AOD0.71
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.72
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.72
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.72
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.72
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.72
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.71
AMEN-ACETYLMETHIONINEA,B2J4Y0.71
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PPP0.74
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1PE60.74
E6CN-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-
2-METHYL-BUTANE
A1ITO0.74
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.76
SUJ(2R,3R)-2-[(3S,6R)-3-AMINO-6-HYDROXY-
2-OXOPIPERIDINYL]-3-HYDROXYBUTANOIC ACID
C,D1OKX0.73
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.75
AN0N-ACETYL-L-NORVALINEA1ZQ80.75
AHBBETA-HYDROXYASPARAGINEA1DSR0.75
AHBBETA-HYDROXYASPARAGINEA,G1NT00.75
AHBBETA-HYDROXYASPARAGINEA2ZGD0.75
AHBBETA-HYDROXYASPARAGINEA,B2QC90.75
AHBBETA-HYDROXYASPARAGINEA2OG70.75
NLGN-ACETYL-L-GLUTAMATEA1OH90.71
NLGN-ACETYL-L-GLUTAMATEA1OHA0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.71
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.71
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.71
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.71
NLGN-ACETYL-L-GLUTAMATEA3B8G0.71
NLGN-ACETYL-L-GLUTAMATEA1GS50.71
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.71
PCV5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-
1-YL)-PENTANOIC ACID
A1DRT0.78
HY33-HYDROXYPROLINEA,B,G2G660.72
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
1IPN~2~-(PHOSPHONOACETYL)-L-ASPARAGINEA,B,C,D2IPO0.71
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.87
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.87
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.87
SACN-ACETYL-SERINEA1R4U0.87
SACN-ACETYL-SERINEA,B,C,D1WS30.87
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.87
SACN-ACETYL-SERINEA,B1EVU0.87
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.87
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.87
SACN-ACETYL-SERINEA1WRR0.87
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.87
SACN-ACETYL-SERINEA,B3CVQ0.87
SACN-ACETYL-SERINEA1B0B0.87
SACN-ACETYL-SERINEA1XT40.87
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.87
SACN-ACETYL-SERINEA2FXL0.87
SACN-ACETYL-SERINEA1R4S0.87
SACN-ACETYL-SERINEA,B,C,D1WS20.87
SACN-ACETYL-SERINEA,B,C,D2AUC0.87
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.87
SACN-ACETYL-SERINEA1R510.87
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.87
SACN-ACETYL-SERINEA,B,C,D1XXJ0.87
SACN-ACETYL-SERINET2QAC0.87
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.87
L4C(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-
CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID
A,B2JE50.71
PAUPANTOTHENOIC ACIDA,B2F9W0.72
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BF10.72
PAUPANTOTHENOIC ACIDA,B,C,D1SQ50.72
PAUPANTOTHENOIC ACIDA,B,C,D,E,F3BEX0.72
168PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDA,B,C,D1OU60.71
N10O-[(HEXYLAMINO)CARBONYL]-L-SERINEA,B,C,D,E,F,
G,H
2Q0S0.7
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.73
C99{(2R)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-
2-HYDROXY-4,5-DIOXOIMIDAZOLIDIN-
1-YL}ACETIC ACID
A2HCG0.72
C6LN-hexanoyl-L-homoserineA3DHA0.73
C6LN-hexanoyl-L-homoserineA3DHB0.73
DTHD-THREONINEA1KRO0.75
DTHD-THREONINEA,B,C,D3BOG0.75
DTHD-THREONINEA,B173D0.75
DTHD-THREONINEA209D0.75
DTHD-THREONINEA316D0.75
DTHD-THREONINEA,B2Q330.75
DTHD-THREONINEA2JUE0.75
DTHD-THREONINEA2D550.75