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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01794300

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE
A1Q650.73
BW2N-(4-{[(2-AMINO-4-OXO-3,4-DIHYDROQUINAZOLIN-
6-YL)AMINO]SULFONYL}BENZOYL)GLUTAMIC ACID
A,B,C,D1PL00.8
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.7
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER
A2FOU0.74
5882-{[2-(2-CARBAMOYL-VINYL)-4-(2-
METHANESULFONYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID
A1ONY0.72
9012-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY-
3-METHYLSULFANYL-PROPYLCARBAMOYL)-
BUTYLCARBAMOYL]-ETHYL}-2-ETHYL-
PHENYL)-OXALYL-AMINO]-BENZOIC ACID
A1NZ70.71
26BO-tert-butyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-L-threonine
A,B3DDS0.72
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6T0.7
9892-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-
ETHYL)-NAPHTHALEN-1-YL]-OXALYL-
AMINO}-BENZOIC ACID
A1NL90.74
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1KCE0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1NCE0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F1KZJ0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDX2FTO0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TRG0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2TSC0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVU0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVV0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1FWM0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1BQ10.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL50.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AIQ0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DDU0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E1QZF0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1TDU0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZE0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8M0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E2OIP0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1CI70.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1DNA0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1LCA0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1VZD0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1ZPR0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AAZ0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B2G8O0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA1TVW0.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D,E3DL60.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B1AN50.83
CB310-PROPARGYL-5,8-DIDEAZAFOLIC ACIDA,B,C,D2BFA0.83
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1VRU0.72
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1HPZ0.72
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.7
APQ2,6-DIAMINO-8-PROPYLSULFANYLMETHYL-
3H-QUINAZOLINE-4-ONE
A1K4H0.71
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.71
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one
A3F9N0.73
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.74
AQO2-AMINOQUINAZOLIN-4(3H)-ONEA1S390.77
25D2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-
2-yl)carbonyl]-D-alanine
A,B3DD10.7
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1U1J0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2OGY0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XPG0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1TLS0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B,C1ZP40.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2E7F0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1TSN0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B2IDK0.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1XR20.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA1B020.82
C2F5-METHYL-5,6,7,8-TETRAHYDROFOLIC ACIDA,B1Q8J0.82
AAA(2-ACETYL-5-METHYLANILINO)(2,6-
DIBROMOPHENYL)ACETAMIDE
A1HNI0.72