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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03119129

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.73
APY2-AMINOMETHYL-PYRIDINEI1IVP0.73
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
5MP5-METHYLPYRROLEA1LI60.84
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B,D,H2IUQ0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA,B2FPB0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINED,H2AGW0.77
TSS2-(1H-INDOL-3-YL)ETHANAMINEA2PQL0.77
3AP3-AMINOPYRIDINEA1AEF0.74
2781-(1-methyl-1H-pyrrol-2-yl)methanamineX2RBV0.79
OBI1,1'-(OXYDIMETHYLENE)BIS(4-FORMYLPYRIDINIUM)DIOXIMEA,B2GYW0.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.7
LTNL-TRYPTOPHANAMIDEA,B2QUI0.7
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T
1UW60.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P2Y0.75
NCT(S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINEA1P7R0.75
MR31-METHYL-1H-PYRROLEX2OU00.71
L123-(2-PYRIDIN-4-YLETHYL)-1H-INDOLEA1W840.75
NTNISONICOTINAMIDINEA7ADH0.74
4AP4-AMINOPYRIDINEA1AEG0.74
2AP2-AMINOPYRIDINEA1AEO0.71
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.72
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.7
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.7
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGY0.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AH00.77
TSH2-(1H-INDOL-3-YL)ETHANIMINED,H2AGX0.77
INDINDOLEA1L4H0.76
INDINDOLEA,B,G1O7N0.76
INDINDOLEA185L0.76
INDINDOLEA,B1EG90.76
INDINDOLEA,B1UUV0.76
INDINDOLEA,C,E2B240.76
INDINDOLEA,B,C,D,E,F2P850.76