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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02378226

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
VLL(2S)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.74
193(2S)-4-(BETA-ALANYLAMINO)-2-AMINOBUTANOIC ACIDA1XY50.7
DIR3-{[(E)-AMINO(HYDROXYIMINO)METHYL]AMINO}ALANINEA,B,C1T4T0.7
MLEN-METHYLLEUCINEA,D2J9A0.73
MLEN-METHYLLEUCINEC1IKF0.73
MLEN-METHYLLEUCINEA,M,N2Z6W0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P
1C5F0.73
MLEN-METHYLLEUCINED,E,F1XQ70.73
MLEN-METHYLLEUCINEC1CWA0.73
MLEN-METHYLLEUCINEC1CWF0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMB0.73
MLEN-METHYLLEUCINEB3CYS0.73
MLEN-METHYLLEUCINEC1CWH0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
G,H
3BO70.73
MLEN-METHYLLEUCINEC1CYN0.73
MLEN-METHYLLEUCINEA1LV90.73
MLEN-METHYLLEUCINEC,D2OJU0.73
MLEN-METHYLLEUCINEB,D,F,H,J,L,
N,P,R,T
2RMA0.73
MLEN-METHYLLEUCINEA1IKM0.73
MLEN-METHYLLEUCINEC1CWK0.73
MLEN-METHYLLEUCINEA,B2HG80.73
MLEN-METHYLLEUCINEC1CWB0.73
MLEN-METHYLLEUCINEC1CWJ0.73
MLEN-METHYLLEUCINEA1CYB0.73
MLEN-METHYLLEUCINED1QNG0.73
MLEN-METHYLLEUCINEB1MIK0.73
MLEN-METHYLLEUCINEA1CSA0.73
MLEN-METHYLLEUCINEC1CWL0.73
MLEN-METHYLLEUCINEA1CYA0.73
MLEN-METHYLLEUCINEA,B,D1MF80.73
MLEN-METHYLLEUCINEC1BCK0.73
MLEN-METHYLLEUCINEA,B,D,E,F,H1M630.73
MLEN-METHYLLEUCINEC1CWC0.73
MLEN-METHYLLEUCINEC1CWI0.73
MLEN-METHYLLEUCINEC,D1QNH0.73
MLEN-METHYLLEUCINEB,D,F,H2RMC0.73
MLEN-METHYLLEUCINEC1CWM0.73
MLEN-METHYLLEUCINET,U,V2POY0.73
MLEN-METHYLLEUCINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.73
MLEN-METHYLLEUCINEC1CWO0.73
MLEN-METHYLLEUCINEA1IKL0.73
LDHN~6~-ETHYL-L-LYSINEA,K2IOF0.73
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
DVAD-VALINEA,B,C,D1C4D0.72
DVAD-VALINEA,B,C,D3BOG0.72
DVAD-VALINEA,B,C,D1GMK0.72
DVAD-VALINEA209D0.72
DVAD-VALINEA,B1TKQ0.72
DVAD-VALINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1UNJ0.72
DVAD-VALINEA,B1MIC0.72
DVAD-VALINEA,B1NRU0.72
DVAD-VALINEA1DSD0.72
DVAD-VALINEB1L1V0.72
DVAD-VALINEA,B1JNO0.72
DVAD-VALINEA,B1NRM0.72
DVAD-VALINEA,B1NT50.72
DVAD-VALINEA2JUE0.72
DVAD-VALINEA,B,C,D1AV20.72
DVAD-VALINEA,B2FCN0.72
DVAD-VALINEA,B1A7Z0.72
DVAD-VALINEA,B1AL40.72
DVAD-VALINEA,B1NG80.72
DVAD-VALINEA2D550.72
DVAD-VALINEA1DSC0.72
DVAD-VALINEA,B1ALX0.72
DVAD-VALINEA,B1JO40.72
DVAD-VALINEA,B1MAG0.72
DVAD-VALINEA,B1NT60.72
DVAD-VALINEA,B2Q330.72
DVAD-VALINEA,B1JO30.72
DVAD-VALINEC,D1MNV0.72
DVAD-VALINEA,B1KQE0.72
DVAD-VALINEA,B,C,D1W5U0.72
DVAD-VALINEA,B,C,D2IZQ0.72
DVAD-VALINEA,B,C,D,E,F1UNM0.72
DVAD-VALINEA,C,D1S4V0.72
DVAD-VALINEA,B1OVF0.72
DVAD-VALINEA,L1ZEA0.72
DVAD-VALINEA,B1ALZ0.72
DVAD-VALINEA,B,C1A7Y0.72
DVAD-VALINEA,B173D0.72
DVAD-VALINEA,B1BDW0.72
DVAD-VALINEA,B1FJA0.72
DVAD-VALINEA1BFW0.72
DVAD-VALINEA,B,C,D1I3W0.72
DVAD-VALINEA316D0.72
DVAD-VALINEA,B,C1QFI0.72
DVAD-VALINEA,B1GRM0.72
MAAN-METHYLALANINEA,B1A7Z0.72
MAAN-METHYLALANINEA,B2VSL0.72
MAAN-METHYLALANINEC1CWI0.72
MAAN-METHYLALANINEC,F,G,H3DW80.72
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYL0.72
MAAN-METHYLALANINED1D5X0.72
MAAN-METHYLALANINEC1PYW0.72
MAAN-METHYLALANINEA,B,C,D,E,F,
G,H
2NYM0.72
MAAN-METHYLALANINEC,I2IE30.72
MAAN-METHYLALANINEC,F,X,Y2NPP0.72
MNL4,N-DIMETHYLNORLEUCINEC1CWC0.7
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA,B,D,E,F3FDM0.78
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3HF00.78
XPC(3S,4R)-4-aminopyrrolidine-3-carboxylic acidA3C3H0.78
IMLN-METHYL-ISOLEUCINEC1CWM0.73
CDV3-METHYL-2-UREIDO-BUTYRIC ACIDB1UF70.7
MLZN-METHYL-LYSINEA,B,I,J2PXJ0.7
MLZN-METHYL-LYSINEA,B,E,F1XQH0.7
MLZN-METHYL-LYSINEA,B,C,D2G460.7
MLZN-METHYL-LYSINED2B2V0.7
MLZN-METHYL-LYSINEA,B3CBM0.7
MLZN-METHYL-LYSINEA,B,C,D2OT70.7
MLZN-METHYL-LYSINEA,B,E,F3F9Y0.7
MLZN-METHYL-LYSINEP1Q3L0.7
MLZN-METHYL-LYSINEA,B,E,F2BQZ0.7
MLZN-METHYL-LYSINEA2RHY0.7
MLZN-METHYL-LYSINEA,B2F690.7
MLZN-METHYL-LYSINEA2R5A0.7
MLZN-METHYL-LYSINEA,B3F700.7
MLZN-METHYL-LYSINEA,B,C2H2J0.7
MLZN-METHYL-LYSINEC,D2H6K0.7
MLZN-METHYL-LYSINEA3EPQ0.7
MLZN-METHYL-LYSINEA,B2QNU0.7
MLZN-METHYL-LYSINEA,B,C,D3HHL0.7
MLZN-METHYL-LYSINEA1IV80.7
MLZN-METHYL-LYSINEA1XER0.7
MLZN-METHYL-LYSINEB,D2H9N0.7
MLZN-METHYL-LYSINEL2R5M0.7
MLZN-METHYL-LYSINEA3E3X0.7
MLZN-METHYL-LYSINEA,B2VYT0.7
MLZN-METHYL-LYSINEA,B,K,L1O9S0.7
MLZN-METHYL-LYSINEA,B,C1P0Y0.7
MLZN-METHYL-LYSINEA,B3CBO0.7
2AS(2S,3S)-3-amino-2-methyl-4-oxobutanoic acidA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.7
DNP3-AMINO-ALANINEA1BEI0.73
VDL(2R,3R)-2,3-DIAMINOBUTANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.74
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B800.71
LNTN-[(2S)-2-amino-1,1-dihydroxy-4-
methylpentyl]-L-threonine
A,B,C3B7V0.71
DPPDIAMMINOPROPANOIC ACIDA,B1B5H0.73
LYPN~6~-METHYL-N~6~-PROPYL-L-LYSINEA,E2UXN0.7
3MD2S,3S-3-METHYLASPARTIC ACIDA,B1KKR0.7
3MD2S,3S-3-METHYLASPARTIC ACIDA,B,C,D1I9C0.7
MVAN-METHYLVALINEA209D0.76
MVAN-METHYLVALINEA,B,C,D,E,F,
G,H
3BO70.76
MVAN-METHYLVALINEC1CWH0.76
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
1UNJ0.76
MVAN-METHYLVALINEA1DSD0.76
MVAN-METHYLVALINEB1L1V0.76
MVAN-METHYLVALINEA,B,C,D,E,F,
I,J,K,L,M,N
2ESL0.76
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMB0.76
MVAN-METHYLVALINEC1CWO0.76
MVAN-METHYLVALINEC1CWL0.76
MVAN-METHYLVALINEB1MIK0.76
MVAN-METHYLVALINEA1CSA0.76
MVAN-METHYLVALINEC1CWM0.76
MVAN-METHYLVALINEA1PFE0.76
MVAN-METHYLVALINEA,B,D,E,F,H1M630.76
MVAN-METHYLVALINEC1CWC0.76
MVAN-METHYLVALINEB,D,F,H2RMC0.76
MVAN-METHYLVALINEC1CWK0.76
MVAN-METHYLVALINEC1CYN0.76
MVAN-METHYLVALINEC,D1MNV0.76
MVAN-METHYLVALINEC,D2OJU0.76
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P,R,T
2RMA0.76
MVAN-METHYLVALINEA1CYB0.76
MVAN-METHYLVALINED1QNG0.76
MVAN-METHYLVALINEA,C,E,G2ADW0.76
MVAN-METHYLVALINEC1CWB0.76
MVAN-METHYLVALINEA,B,C,D,E,F1UNM0.76
MVAN-METHYLVALINEA,B1OVF0.76
MVAN-METHYLVALINEA,B185D0.76
MVAN-METHYLVALINEA1XVK0.76
MVAN-METHYLVALINEA,C1XVR0.76
MVAN-METHYLVALINEA,B173D0.76
MVAN-METHYLVALINEA,B1FJA0.76
MVAN-METHYLVALINEB3CYS0.76
MVAN-METHYLVALINEA,B,C1A7Y0.76
MVAN-METHYLVALINEA,B,C1L5G0.76
MVAN-METHYLVALINEA,B,C,D1I3W0.76
MVAN-METHYLVALINEA316D0.76
MVAN-METHYLVALINEA1XVN0.76
MVAN-METHYLVALINEC1IKF0.76
MVAN-METHYLVALINEA,M,N2Z6W0.76
MVAN-METHYLVALINEA,B,C1QFI0.76
MVAN-METHYLVALINEA,B3GO30.76
MVAN-METHYLVALINEC1CWA0.76
MVAN-METHYLVALINEC1CWF0.76
MVAN-METHYLVALINEB,D,F,H,J,L,
N,P
1C5F0.76
MVAN-METHYLVALINED,E,F1XQ70.76
MVAN-METHYLVALINEA1CYA0.76
MVAN-METHYLVALINEA,B,D1MF80.76
MVAN-METHYLVALINEA,B1A7Z0.76
MVAN-METHYLVALINEA1DSC0.76
MVAN-METHYLVALINET,U,V2POY0.76
MVAN-METHYLVALINEA2D550.76
MVAN-METHYLVALINEC1BCK0.76
MVAN-METHYLVALINEC1CWI0.76
MVAN-METHYLVALINEC,D1QNH0.76
MVAN-METHYLVALINEA1VS20.76