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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02910128

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NLGN-ACETYL-L-GLUTAMATEA1OH90.72
NLGN-ACETYL-L-GLUTAMATEA1OHA0.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,I,J,K,L
2BUF0.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D2RD50.72
NLGN-ACETYL-L-GLUTAMATEA,B2JJ40.72
NLGN-ACETYL-L-GLUTAMATEA,B,C,D,E,F,
G,H,J,K
2V5H0.72
NLGN-ACETYL-L-GLUTAMATEA1GSJ0.72
NLGN-ACETYL-L-GLUTAMATEA3B8G0.72
NLGN-ACETYL-L-GLUTAMATEA1GS50.72
NLGN-ACETYL-L-GLUTAMATEA,B,C2BTY0.72
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
REXGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANYL-D-ALANINE
A1IKG0.71
IPGN-ISOPROPYL GLYCINEC,D2SEM0.76
AACACETYLAMINO-ACETIC ACIDA,B1NG30.83
AACACETYLAMINO-ACETIC ACIDA1QD80.83
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1OEX0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWX0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVW0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVX0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWW0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B1GKT0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA2OWC0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVV0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVT0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2VS20.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA1OEW0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,I1GVU0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJJ0.75
SUI(3-AMINO-2,5-DIOXO-1-PYRROLIDINYL)ACETIC ACIDA,B2JJI0.75
AYAN-ACETYLALANINEA1D0W0.84
AYAN-ACETYLALANINEA1AH40.84
AYAN-ACETYLALANINEA,B1VBP0.84
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1J4T0.84
AYAN-ACETYLALANINEA,B,C,D1OUW0.84
AYAN-ACETYLALANINEA1AH30.84
AYAN-ACETYLALANINEA1EKO0.84
AYAN-ACETYLALANINEB,D,F,H2V4I0.84
AYAN-ACETYLALANINEA,B,C,D,E,F,
G,H
1VBO0.84
AYAN-ACETYLALANINEA,B,C,D1J4U0.84
NXAN-CARBOXYALANINEA2IUX0.78
NXAN-CARBOXYALANINEA1O8A0.78
I38N-(3-MERCAPTOPROPANOYL)-D-ALANINEA2QDT0.77
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.72
OLN(S)-2-ACETAMIDO-5-UREIDOPENTANOIC ACIDA1YH10.7
AMEN-ACETYLMETHIONINEA,B,C,D1SJA0.72
AMEN-ACETYLMETHIONINEA,B2J4Y0.72
CLV{(2S)-2-[(1S)-1-AMINOETHYL]-5-OXO-
2,5-DIHYDRO-1H-IMIDAZOL-1-YL}ACETIC ACID
A2HGY0.71
NCBN-CARBAMOYL-ALANINEA,B,C,D,E,F,
G,H,I,J
1QMV0.77
REYGLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-
D-ALANINE
A1IKI0.72
YMA7,10,13-TRI(CARBOXYMETHYL)-5,15-
DIOXO-4,7,10,13,16-PENTAAZA-1,19-
DITHIANONADECANE
A1PY00.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z260.7
NCDN-CARBAMOYL-L-ASPARTATEA,B1J790.7
NCDN-CARBAMOYL-L-ASPARTATEA,B1XGE0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z290.7
NCDN-CARBAMOYL-L-ASPARTATEA,B,G,H1R0C0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z270.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z280.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z2A0.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z240.7
NCDN-CARBAMOYL-L-ASPARTATEA,B2Z250.7
NMCN-CYCLOPROPYLMETHYL GLYCINEC,D3SEM0.71
MHA(CARBAMOYLMETHYL-CARBOXYMETHYL-
AMINO)-ACETIC ACID
A,B2IXX0.81
MHA(CARBAMOYLMETHYL-CARBOXYMETHYL-
AMINO)-ACETIC ACID
A,B1IX10.81
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F,
G,H
2J580.75
SC2N-ACETYL-L-CYSTEINEA,B,C,D,E,F2J2P0.75
SC2N-ACETYL-L-CYSTEINEB,C,D,E,F2J1G0.75
ORQN~5~-ACETYL-L-ORNITHINEP,Q2FX90.7
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.77
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.77
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.77
SACN-ACETYL-SERINEA1R4U0.77
SACN-ACETYL-SERINEA,B,C,D1WS30.77
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1XY30.77
SACN-ACETYL-SERINEA,B1EVU0.77
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,H
1R560.77
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.77
SACN-ACETYL-SERINEA1WRR0.77
SACN-ACETYL-SERINEA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.77
SACN-ACETYL-SERINEA,B3CVQ0.77
SACN-ACETYL-SERINEA1B0B0.77
SACN-ACETYL-SERINEA1XT40.77
SACN-ACETYL-SERINEA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.77
SACN-ACETYL-SERINEA2FXL0.77
SACN-ACETYL-SERINEA1R4S0.77
SACN-ACETYL-SERINEA,B,C,D1WS20.77
SACN-ACETYL-SERINEA,B,C,D2AUC0.77
SACN-ACETYL-SERINEA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.77
SACN-ACETYL-SERINEA1R510.77
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.77
SACN-ACETYL-SERINEA,B,C,D1XXJ0.77
SACN-ACETYL-SERINET2QAC0.77
SACN-ACETYL-SERINEA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.77
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
THCN-METHYLCARBONYLTHREONINEA,B,C1A7C0.73
THCN-METHYLCARBONYLTHREONINEB2HR00.73
THCN-METHYLCARBONYLTHREONINEL,P2MPA0.73
THCN-METHYLCARBONYLTHREONINEL,P1MPA0.73
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B,C,D,E,F,
G,H
1T6P0.73
1753,5-DIHYDRO-5-METHYLIDENE-4H-IMIDAZOL-
4-ON
A,B1T6J0.73
DLSDI-ACETYL-LYSINEA,B,C,D,E,F1FVM0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D2GGH0.73
NLQN~2~-ACETYL-L-GLUTAMINEA,B,C,D1XPY0.73
140N-PALMITOYLGLYCINEA,B1JPZ0.7
140N-PALMITOYLGLYCINEA,B1ZOA0.7
140N-PALMITOYLGLYCINEA,B3CBD0.7
CMSCARBAMOYL SARCOSINEA,B1CHM0.71
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.72
BAA(TERT-BUTYLOXYCARBONYL)-ALANYL-
ALANYL-AMINE
A1ELG0.74
OGAN-OXALYOLGLYCINEA,B,C,D2OQ60.78
OGAN-OXALYOLGLYCINEA2RDS0.78
OGAN-OXALYOLGLYCINEA1H2M0.78
OGAN-OXALYOLGLYCINEA2QRL0.78
OGAN-OXALYOLGLYCINEA,B,C,D2OX00.78
OGAN-OXALYOLGLYCINEA2RDR0.78
OGAN-OXALYOLGLYCINEA,B,C,D2OS20.78
OGAN-OXALYOLGLYCINEA,B,I,J2PXJ0.78
OGAN-OXALYOLGLYCINEA,B,F,G2Q8E0.78
OGAN-OXALYOLGLYCINEA,B,I,J2P5B0.78
OGAN-OXALYOLGLYCINEA1H2K0.78
OGAN-OXALYOLGLYCINEA,B,C,D2OT70.78
OGAN-OXALYOLGLYCINEA,B2OQ70.78
AN0N-ACETYL-L-NORVALINEC,D,E,X,Y,Z2G7M0.77
AN0N-ACETYL-L-NORVALINEA1ZQ80.77
CL5N-(3-OXOPROPYL)GLYCINEA2IOT0.73
AORN~2~-ACETYL-L-ORNITHINEA1ZQ60.75